2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid

C13H11FN2O3S — CID 63113969

IUPAC2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2sccc2C(=O)O)c(F)c1
InChIInChI=1S/C13H11FN2O3S/c1-7-2-3-10(9(14)6-7)15-13(19)16-11-8(12(17)18)4-5-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJECWGEMARPKTRP-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.54
Rot. Bonds3

About 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid

2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63113969) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63113969
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1ccc(NC(=O)Nc2sccc2C(=O)O)c(F)c1
InChIInChI=1S/C13H11FN2O3S/c1-7-2-3-10(9(14)6-7)15-13(19)16-11-8(12(17)18)4-5-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19)
InChIKeyJECWGEMARPKTRP-UHFFFAOYSA-N
XLogP3.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(2-fluoro-4-methylphenyl)carbamoylamino]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-[(4-chloro-2-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113787
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 102854176
2-[(2,3,4-trifluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113570
2-[(3-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113495
2-[(4-bromo-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113553
2-[(3-hydroxy-2,4-dimethylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114163
2-[(3-chloro-2-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113551
3-[(2-fluoro-5-methylbenzoyl)amino]thiophene-2-carboxylic acid
CID 55083070
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(3-chloro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 43515064
2-[[(1R)-1-(4-methylphenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81349543
3-[(2,4-difluorophenyl)carbamoylamino]thiophene-2-carboxylic acid
CID 43214101

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63113969) is 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid is Cc1ccc(NC(=O)Nc2sccc2C(=O)O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is JECWGEMARPKTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c1-7-2-3-10(9(14)6-7)15-13(19)16-11-8(12(17)18)4-5-20-11/h2-6H,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid?
2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methylphenyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).