3-methyl-4-(thiophene-2-carbonylamino)benzoate

C13H10NO3S- — CID 6978677

IUPAC3-methyl-4-(thiophene-2-carbonylamino)benzoate
SMILESCc1cc(C(=O)[O-])ccc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-7-9(13(16)17)4-5-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyGDKNIJWRYXSJJJ-UHFFFAOYSA-M
MW260.29 g/mol
LogP1.67
Rot. Bonds3

About 3-methyl-4-(thiophene-2-carbonylamino)benzoate

3-methyl-4-(thiophene-2-carbonylamino)benzoate (PubChem CID 6978677) has the molecular formula C13H10NO3S- and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methyl-4-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name3-methyl-4-(thiophene-2-carbonylamino)benzoate
PubChem CID6978677
Molecular FormulaC13H10NO3S-
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name3-methyl-4-(thiophene-2-carbonylamino)benzoate
SMILESCc1cc(C(=O)[O-])ccc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-7-9(13(16)17)4-5-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyGDKNIJWRYXSJJJ-UHFFFAOYSA-M
XLogP1.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(thiophene-2-carbonylamino)benzoate 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

4-methyl-3-(thiophene-2-carbonylamino)benzoate
CID 5122270
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
3-[3-methyl-4-(thiophene-2-carbonylamino)phenyl]prop-2-enoic acid
CID 76907780
N-[4-(furan-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 168526286
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
4-chloro-3-(thiophene-2-carbonylcarbamothioylamino)benzoate
CID 6953019
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
N-[4-methyl-2-[(2-methylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 9324132
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of 3-methyl-4-(thiophene-2-carbonylamino)benzoate (CID 6978677) is 3-methyl-4-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for 3-methyl-4-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for 3-methyl-4-(thiophene-2-carbonylamino)benzoate is Cc1cc(C(=O)[O-])ccc1NC(=O)c1cccs1.
What is the InChIKey of 3-methyl-4-(thiophene-2-carbonylamino)benzoate?
The InChIKey is GDKNIJWRYXSJJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO3S/c1-8-7-9(13(16)17)4-5-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 3-methyl-4-(thiophene-2-carbonylamino)benzoate?
3-methyl-4-(thiophene-2-carbonylamino)benzoate has a molecular weight of 260.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 6978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).