5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid

C14H12ClNO3S — CID 103400124

IUPAC5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2scc(C)c2Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClNO3S/c1-7-3-4-9(5-10(7)14(18)19)16-13(17)12-11(15)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZCGXAVVLWZBKD-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.97
Rot. Bonds3

About 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid

5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 103400124) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
PubChem CID103400124
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)c2scc(C)c2Cl)cc1C(=O)O
InChIInChI=1S/C14H12ClNO3S/c1-7-3-4-9(5-10(7)14(18)19)16-13(17)12-11(15)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H,18,19)
InChIKeyDZCGXAVVLWZBKD-UHFFFAOYSA-N
XLogP3.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
N-[3-(bromomethyl)phenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103406036
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
(E)-3-[3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 103400239
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
N-(3-bromo-5-methylphenyl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103526991
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
3-chloro-4-[(3-chloro-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 103400150
N-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-chloro-4-methylthiophene-2-carboxamide
CID 103404204

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid (CID 103400124) is 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)c2scc(C)c2Cl)cc1C(=O)O.
What is the InChIKey of 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is DZCGXAVVLWZBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-7-3-4-9(5-10(7)14(18)19)16-13(17)12-11(15)8(2)6-20-12/h3-6H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid?
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 309.77 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 103400124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).