2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid

C16H17NO3S — CID 75495598

IUPAC2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-14(21-11)15(18)17-10-13(16(19)20)9-12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyUOMOHCKWLFQYCE-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.73
Rot. Bonds6

About 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid

2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid (PubChem CID 75495598) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
PubChem CID75495598
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
SMILESCc1ccc(C(=O)NCC(Cc2ccccc2)C(=O)O)s1
InChIInChI=1S/C16H17NO3S/c1-11-7-8-14(21-11)15(18)17-10-13(16(19)20)9-12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,17,18)(H,19,20)
InChIKeyUOMOHCKWLFQYCE-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 119234039
N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylthiophene-2-carboxamide
CID 110889308
2-benzyl-3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]propanoic acid
CID 120525121
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
N-(2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 115612504
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
2-benzyl-3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 119233951
2-benzyl-3-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119233563
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
CID 94800112
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
2-benzyl-3-[[4-(ethylsulfanylmethyl)benzoyl]amino]propanoic acid
CID 119233387

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid (CID 75495598) is 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid is Cc1ccc(C(=O)NCC(Cc2ccccc2)C(=O)O)s1.
What is the InChIKey of 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is UOMOHCKWLFQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-7-8-14(21-11)15(18)17-10-13(16(19)20)9-12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid?
2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 303.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(5-methylthiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 75495598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).