Name: Name:4-Piperidinecarboxamide, N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenylsulfonyl)-
Brand: Angene
SKU: AG0004BQ
Rating: 90 (10 reviews)

4-Piperidinecarboxamide, N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenylsulfonyl)-

CAS No.:

1013753-99-5

Catalog Number:

AG0004BQ

Molecular Formula:

C23H29N3O5S

Molecular Weight:

459.5585

Catalog Number:

AG0004BQ

Chemical Name:

4-Piperidinecarboxamide, N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenylsulfonyl)-

CAS Number:

1013753-99-5

Molecular Formula:

C23H29N3O5S

Molecular Weight:

459.5585

MDL Number:

MFCD30470656

IUPAC Name:

1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

InChI:

InChI=1S/C23H29N3O5S/c1-17(22(27)24-16-19-8-6-7-11-21(19)31-2)25-23(28)18-12-14-26(15-13-18)32(29,30)20-9-4-3-5-10-20/h3-11,17-18H,12-16H2,1-2H3,(H,24,27)(H,25,28)

InChI Key:

RCWXKFCEGKXUIN-UHFFFAOYSA-N

SMILES:

COc1ccccc1CNC(=O)[C@@H](NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1)C

Complexity:

724

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

459.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

459.561g/mol

Monoisotopic Mass:

459.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1