Name: Name:XD 14
Brand: Angene
SKU: AG01A3QV
Rating: 90 (10 reviews)

XD 14

CAS No.:

1370888-71-3

Catalog Number:

AG01A3QV

Molecular Formula:

C20H27N3O5S

Molecular Weight:

421.5105

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Product Description

Catalog Number:

AG01A3QV

Chemical Name:

XD 14

CAS Number:

1370888-71-3

Molecular Formula:

C20H27N3O5S

Molecular Weight:

421.5105

IUPAC Name:

4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

InChI:

InChI=1S/C20H27N3O5S/c1-6-15-18(13(5)24)12(4)21-19(15)20(26)22-16-11-14(9-10-17(16)25)29(27,28)23(7-2)8-3/h9-11,21,25H,6-8H2,1-5H3,(H,22,26)

InChI Key:

DPBKLIVPNYGQQG-UHFFFAOYSA-N

SMILES:

CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)c1[nH]c(c(c1CC)C(=O)C)C)O)CC

Properties

Complexity:

689

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

421.167g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

421.512g/mol

Monoisotopic Mass:

421.167g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
4-Acyl pyrroles: mimicking acetylated lysines in histone code reading.	Angewandte Chemie (International ed. in English) 20131223