3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid

C13H11NO3S — CID 1485385

IUPAC3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOEGYJETWWYWHAS-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.01
Rot. Bonds3

About 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid

3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 1485385) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID1485385
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1
InChIInChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyOEGYJETWWYWHAS-UHFFFAOYSA-N
XLogP3.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Thiophene-2-amido)benzoic acid
CID 746807
2-(Thiophene-2-amido)benzoic acid
CID 643302
3-(Isopropyl(4-Methylbenzoyl)Amino)-5-Phenylthiophene-2-Carboxylic Acid
CID 503535
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 3-[(4-isopropylbenzoyl)amino]-2-thiophenecarboxylate
CID 896134
Methyl 3-[(4-cyanobenzoyl)amino]thiophene-2-carboxylate
CID 2808363
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
4-Methyl-3-[(thiophen-2-ylcarbonyl)amino]benzoic acid
CID 743768
2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
2-(thiophen-3-ylmethylamino)benzoic Acid
CID 1939718
NEP inhibitor, 6k
CID 9797197

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid (CID 1485385) is 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid is Cc1ccc(C(=O)Nc2ccsc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is OEGYJETWWYWHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c1-8-2-4-9(5-3-8)12(15)14-10-6-7-18-11(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid?
3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 1485385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).