5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

C13H10Cl2N2O3S — CID 107653080

IUPAC5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O3S/c1-6-2-10(21-11(6)12(18)19)17-13(20)16-9-4-7(14)3-8(15)5-9/h2-5H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCZCWAYBBFCHOSK-UHFFFAOYSA-N
MW345.21 g/mol
LogP4.71
Rot. Bonds3

About 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid

5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (PubChem CID 107653080) has the molecular formula C13H10Cl2N2O3S and a molecular weight of 345.21 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
PubChem CID107653080
Molecular FormulaC13H10Cl2N2O3S
Molecular Weight345.21 g/mol
Exact Mass343.98
IUPAC Name5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc1C(=O)O
InChIInChI=1S/C13H10Cl2N2O3S/c1-6-2-10(21-11(6)12(18)19)17-13(20)16-9-4-7(14)3-8(15)5-9/h2-5H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyCZCWAYBBFCHOSK-UHFFFAOYSA-N
XLogP4.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-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

5-[(3-chlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16770990
5-[(3-chloro-4-methylphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 43515062
5-[(2-bromo-4-chlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 107986401
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
5-[(2-chloro-4-methylbenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 106860463
5-[(5,6-dichloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 43356628
5-[(2-methoxyphenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid
CID 16776144
3-methyl-5-(thiadiazole-4-carbonylamino)thiophene-2-carboxylic acid
CID 65214815
5-[(2-chloropyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylic acid
CID 113258936
3-methyl-5-[(3,4,5-trifluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 63183797
5-[(2,5-difluorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 24701855
1-(3,5-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991412

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid (CID 107653080) is 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is Cc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
The InChIKey is CZCWAYBBFCHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O3S/c1-6-2-10(21-11(6)12(18)19)17-13(20)16-9-4-7(14)3-8(15)5-9/h2-5H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid?
5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid has a molecular weight of 345.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)carbamoylamino]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 107653080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).