2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid

C13H10N2O4S — CID 60858679

IUPAC2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C13H10N2O4S/c14-10(16)7-2-1-3-8(6-7)11(17)15-12-9(13(18)19)4-5-20-12/h1-6H,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyRICCHPXMEVHLEW-UHFFFAOYSA-N
MW290.30 g/mol
LogP1.80
Rot. Bonds4

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

2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid (PubChem CID 60858679) has the molecular formula C13H10N2O4S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
PubChem CID60858679
Molecular FormulaC13H10N2O4S
Molecular Weight290.30 g/mol
Exact Mass290.04
IUPAC Name2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)Nc2sccc2C(=O)O)c1
InChIInChI=1S/C13H10N2O4S/c14-10(16)7-2-1-3-8(6-7)11(17)15-12-9(13(18)19)4-5-20-12/h1-6H,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyRICCHPXMEVHLEW-UHFFFAOYSA-N
XLogP1.80
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid 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

2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-benzamidothiophene-3-carboxylic acid
CID 16639461
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921362
2-[(3-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 7164117
2-[(6-oxo-1H-pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 114040056
3-carbamoylbenzoic acid
CID 3014284
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166979
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid (CID 60858679) is 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid is NC(=O)c1cccc(C(=O)Nc2sccc2C(=O)O)c1.
What is the InChIKey of 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid?
The InChIKey is RICCHPXMEVHLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S/c14-10(16)7-2-1-3-8(6-7)11(17)15-12-9(13(18)19)4-5-20-12/h1-6H,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid?
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid has a molecular weight of 290.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 60858679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).