2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid

C16H15NO3S — CID 87373520

IUPAC2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(NC(CS)C(=O)O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO3S/c18-15(17-14(10-21)16(19)20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,17,18)(H,19,20)
InChIKeyUVZPASQBFJKAFR-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.47
Rot. Bonds5

About 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid

2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid (PubChem CID 87373520) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
PubChem CID87373520
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid
SMILESO=C(NC(CS)C(=O)O)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H15NO3S/c18-15(17-14(10-21)16(19)20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,17,18)(H,19,20)
InChIKeyUVZPASQBFJKAFR-UHFFFAOYSA-N
XLogP2.47
TPSA66.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-chlorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708990
2-[(2-acetylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 175133193
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
2-[(2-fluorobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16778206
(2S)-4-benzylsulfanyl-2-[(2-phenylbenzoyl)amino]butanoic acid
CID 149150781
2-[[1,3-dioxo-1-(2-phenylphenyl)butan-2-yl]amino]-3-sulfanylpropanoic acid
CID 141263868
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924
(2R)-2-[(2-pentylbenzoyl)amino]-3-sulfanylpropanoic acid
CID 142708966
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenylbenzamide
CID 131985605
N-[(2S)-1-amino-3-methylbutan-2-yl]-2-phenylbenzamide
CID 68724562
ethyl (2R)-3-methylsulfanyl-2-[(2-phenylbenzoyl)amino]propanoate
CID 67365397

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid?
The IUPAC name of 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid (CID 87373520) is 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid?
The canonical SMILES for 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid is O=C(NC(CS)C(=O)O)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid?
The InChIKey is UVZPASQBFJKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-15(17-14(10-21)16(19)20)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-9,14,21H,10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid?
2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid has a molecular weight of 301.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylbenzoyl)amino]-3-sulfanylpropanoic acid is sourced from PubChem (CID 87373520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).