Name: Name:Phenyl[(thien-2-ylcarbonyl)amino]acetic acid
Brand: Angene
SKU: AG00H9D3
Rating: 90 (10 reviews)

Phenyl[(thien-2-ylcarbonyl)amino]acetic acid

CAS No.:

1008670-87-8

Catalog Number:

AG00H9D3

Molecular Formula:

C13H11NO3S

Molecular Weight:

261.2963

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00H9D3

Chemical Name:

Phenyl[(thien-2-ylcarbonyl)amino]acetic acid

CAS Number:

1008670-87-8

Molecular Formula:

C13H11NO3S

Molecular Weight:

261.2963

MDL Number:

MFCD04971917

IUPAC Name:

2-phenyl-2-(thiophene-2-carbonylamino)acetic acid

InChI:

InChI=1S/C13H11NO3S/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)(H,16,17)

InChI Key:

JQDFNCZLEHZUNZ-UHFFFAOYSA-N

SMILES:

O=C(c1cccs1)NC(c1ccccc1)C(=O)O

Properties

Complexity:

315

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.295g/mol

Monoisotopic Mass:

261.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101