3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid

C18H13ClN2O3S — CID 3008421

IUPAC3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C18H13ClN2O3S/c19-12-6-8-13(9-7-12)20-18(24)21-14-10-15(25-16(14)17(22)23)11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,20,21,24)
InChIKeyJYPSLSKJZFPZLL-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.41
Rot. Bonds4

About 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid

3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid (PubChem CID 3008421) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid
PubChem CID3008421
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)sc1C(=O)O
InChIInChI=1S/C18H13ClN2O3S/c19-12-6-8-13(9-7-12)20-18(24)21-14-10-15(25-16(14)17(22)23)11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,20,21,24)
InChIKeyJYPSLSKJZFPZLL-UHFFFAOYSA-N
XLogP5.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thiophene-2-carboxylic acid methyl ester
CID 2807754
Methyl 3-[(3-chlorobenzoyl)amino]-5-phenyl-2-thiophenecarboxylate
CID 16012545
3-[(4-chlorobenzoyl)amino]thiophene-2-carboxylic Acid
CID 2807587
Methyl 3-[5-[(4-chlorophenyl)carbamoylamino]thiophen-2-yl]benzoate
CID 155436652
3-[(4-Chloro-benzoyl)-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid
CID 503531
2-({[5-(4-Chlorophenyl)-2-(methoxycarbonyl)-3-thienyl]amino}carbonyl)benzoic acid
CID 2814791
Ethyl 5-phenyl-3-(phenylcarbamoylamino)thiophene-2-carboxylate
CID 4054874
4-{[5-(4-Chlorophenyl)-2-(methoxycarbonyl)-3-thienyl]amino}-4-oxo-2-butenoic acid
CID 5714708
3-[(3-Fluorobenzoyl)amino]-5-phenylthiophene-2-carboxylic acid
CID 16012569
3-[[Butyl(phenyl)carbamoyl]amino]-5-(3,4-dichlorophenyl)thiophene-2-carboxylic acid
CID 71740206
5-(3,4-Dichlorophenyl)-2-(phenylcarbamoylamino)thiophene-3-carboxylic acid
CID 129907592
5-(3,4-Dichlorophenyl)-2-[(4-fluorophenyl)carbamoylamino]thiophene-3-carboxylic acid
CID 129907593

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid (CID 3008421) is 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid is O=C(Nc1ccc(Cl)cc1)Nc1cc(-c2ccccc2)sc1C(=O)O.
What is the InChIKey of 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid?
The InChIKey is JYPSLSKJZFPZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-12-6-8-13(9-7-12)20-18(24)21-14-10-15(25-16(14)17(22)23)11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,20,21,24).
What are the key properties of 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid?
3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid has a molecular weight of 372.83 g/mol, XLogP of 5.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)carbamoylamino]-5-phenylthiophene-2-carboxylic acid is sourced from PubChem (CID 3008421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).