2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid

C15H14ClNO3S — CID 68637832

IUPAC2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1ccc(Cl)s1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c1-2-15(14(19)20,10-6-4-3-5-7-10)17-13(18)11-8-9-12(16)21-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOJUBIWGQWMPAD-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.52
Rot. Bonds5

About 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid

2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid (PubChem CID 68637832) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
PubChem CID68637832
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1ccc(Cl)s1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H14ClNO3S/c1-2-15(14(19)20,10-6-4-3-5-7-10)17-13(18)11-8-9-12(16)21-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyAOJUBIWGQWMPAD-UHFFFAOYSA-N
XLogP3.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic 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

5-chloro-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-2-carboxamide
CID 64555417
2-[(5-chlorothiophene-2-carbonyl)amino]-3-methoxy-2-(methoxymethyl)propanoic acid
CID 67456065
2-[(5-ethyl-1,3-oxazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201948
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
N-(2-amino-2-methylpropyl)-5-chlorothiophene-2-carboxamide
CID 81483239
2-amino-1-(5-chlorothiophen-2-yl)-2-phenylpropan-1-one
CID 116563850
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201770
2-[[5-(dimethylsulfamoyl)furan-2-carbonyl]amino]-2-phenylbutanoic acid
CID 119201809
5-chloro-N-prop-2-ynylthiophene-2-carboxamide;propane
CID 143722959
5-chloro-N-(3,3-dimethyl-2-oxobutyl)thiophene-2-carboxamide
CID 64991724
2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]-2-phenylbutanoic acid
CID 119201712

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid (CID 68637832) is 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid is CCC(NC(=O)c1ccc(Cl)s1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid?
The InChIKey is AOJUBIWGQWMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-15(14(19)20,10-6-4-3-5-7-10)17-13(18)11-8-9-12(16)21-11/h3-9H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid?
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid has a molecular weight of 323.80 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid is sourced from PubChem (CID 68637832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).