5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid

C15H15NO3S — CID 63654176

IUPAC5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)O)c2)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-8-4-5-11(7-12(8)15(18)19)16-14(17)13-6-9(2)20-10(13)3/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCVSQKEIQQCVIDZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.62
Rot. Bonds3

About 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid

5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid (PubChem CID 63654176) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
PubChem CID63654176
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2ccc(C)c(C(=O)O)c2)c(C)s1
InChIInChI=1S/C15H15NO3S/c1-8-4-5-11(7-12(8)15(18)19)16-14(17)13-6-9(2)20-10(13)3/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyCVSQKEIQQCVIDZ-UHFFFAOYSA-N
XLogP3.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
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
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
2,5-dimethyl-N-[4-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 18196740
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
N-(3-fluoro-4-phosphanylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 135292739
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
2,5-dimethyl-N-(2-methyl-4-pyridinyl)thiophene-3-carboxamide
CID 110705565

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid (CID 63654176) is 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid is Cc1cc(C(=O)Nc2ccc(C)c(C(=O)O)c2)c(C)s1.
What is the InChIKey of 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid?
The InChIKey is CVSQKEIQQCVIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-8-4-5-11(7-12(8)15(18)19)16-14(17)13-6-9(2)20-10(13)3/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid?
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid has a molecular weight of 289.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63654176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).