5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid

C19H14Cl2N2O3S — CID 71740079

IUPAC5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid
SMILESCN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-23(12-5-3-2-4-6-12)19(26)22-15-10-16(27-17(15)18(24)25)11-7-8-13(20)14(21)9-11/h2-10H,1H3,(H,22,26)(H,24,25)
InChIKeyIDVVRBAAQKVASM-UHFFFAOYSA-N
MW421.31 g/mol
LogP6.09
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid

5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid (PubChem CID 71740079) has the molecular formula C19H14Cl2N2O3S and a molecular weight of 421.31 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid
PubChem CID71740079
Molecular FormulaC19H14Cl2N2O3S
Molecular Weight421.31 g/mol
Exact Mass420.01
IUPAC Name5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid
SMILESCN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1
InChIInChI=1S/C19H14Cl2N2O3S/c1-23(12-5-3-2-4-6-12)19(26)22-15-10-16(27-17(15)18(24)25)11-7-8-13(20)14(21)9-11/h2-10H,1H3,(H,22,26)(H,24,25)
InChIKeyIDVVRBAAQKVASM-UHFFFAOYSA-N
XLogP6.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.31
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-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-(3,4-dichlorophenyl)-3-(propan-2-ylcarbamoylamino)thiophene-2-carboxylic acid
CID 71739952
3-[[benzyl(ethyl)carbamoyl]amino]-5-[4-chloro-3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 71739949
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-phenylthiophene-2-carboxylic acid
CID 156849389
5-(3,4-dichlorophenyl)-3-(2-methyl-N-sulfinoanilino)thiophene-2-carboxylic acid
CID 67299367
2-[(2-carboxy-5-phenylthiophen-3-yl)amino]-2-oxoacetate
CID 59871706
3-[[benzyl(ethyl)carbamoyl]amino]-5-[4-chloro-3-[4-(methoxycarbonylamino)butyl]phenyl]thiophene-2-carboxylic acid
CID 71739950
5-(4-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylic acid
CID 2757211
5-(4-chlorophenyl)-3-(methylamino)thiophene-2-carboxylic acid
CID 118486195
2-chloro-4-[[methyl(phenyl)carbamoyl]amino]benzoic acid
CID 61398621
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-1-phenylurea
CID 108991173
3-[[benzyl(ethyl)carbamoyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid
CID 71739691
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-5-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 156850214

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid (CID 71740079) is 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid is CN(C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O)c1ccccc1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid?
The InChIKey is IDVVRBAAQKVASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3S/c1-23(12-5-3-2-4-6-12)19(26)22-15-10-16(27-17(15)18(24)25)11-7-8-13(20)14(21)9-11/h2-10H,1H3,(H,22,26)(H,24,25).
What are the key properties of 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid?
5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid has a molecular weight of 421.31 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-[[methyl(phenyl)carbamoyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 71740079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).