2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid

C14H13NO3S — CID 79802864

IUPAC2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2cscc2C)cc1C(=O)O
InChIInChI=1S/C14H13NO3S/c1-8-3-4-10(5-11(8)14(17)18)15-13(16)12-7-19-6-9(12)2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLMILQPAKGZQHLW-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid

2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid (PubChem CID 79802864) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
PubChem CID79802864
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2cscc2C)cc1C(=O)O
InChIInChI=1S/C14H13NO3S/c1-8-3-4-10(5-11(8)14(17)18)15-13(16)12-7-19-6-9(12)2/h3-7H,1-2H3,(H,15,16)(H,17,18)
InChIKeyLMILQPAKGZQHLW-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
4-methyl-N-[4-methyl-3-[methyl(propan-2-yl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 99838544
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(3,4-dicyanophenyl)-4-methylthiophene-3-carboxamide
CID 103944405
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid (CID 79802864) is 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2cscc2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid?
The InChIKey is LMILQPAKGZQHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-8-3-4-10(5-11(8)14(17)18)15-13(16)12-7-19-6-9(12)2/h3-7H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid?
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid has a molecular weight of 275.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 79802864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).