(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid

C14H12ClNO3S — CID 107314389

IUPAC(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-4-2-3-5-10(9)15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyWLYIWIIWLKNPKC-LLVKDONJSA-N
MW309.77 g/mol
LogP3.27
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (PubChem CID 107314389) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
PubChem CID107314389
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
SMILESCc1ccsc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-4-2-3-5-10(9)15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1
InChIKeyWLYIWIIWLKNPKC-LLVKDONJSA-N
XLogP3.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic 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

(2R)-2-(2-chlorophenyl)-2-[(5-methylfuran-3-carbonyl)amino]acetic acid
CID 107314767
2-(4-fluorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 53216107
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[(4-aminobenzoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315149
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107046881
(2R)-2-[(5-bromothiophene-2-carbonyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107314545
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
(2R)-2-(2-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]acetic acid
CID 107314790
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315280
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid (CID 107314389) is (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is Cc1ccsc1C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
The InChIKey is WLYIWIIWLKNPKC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-8-6-7-20-12(8)13(17)16-11(14(18)19)9-4-2-3-5-10(9)15/h2-7,11H,1H3,(H,16,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid has a molecular weight of 309.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107314389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).