N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide

C20H17ClN2O2S — CID 55931198

IUPACN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2sccc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-23(2)20(25)16-12-14(8-9-17(16)21)22-19(24)18-15(10-11-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24)
InChIKeyBIBLGMLFXSQVLH-UHFFFAOYSA-N
MW384.89 g/mol
LogP5.02
Rot. Bonds4

About N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide

N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide (PubChem CID 55931198) has the molecular formula C20H17ClN2O2S and a molecular weight of 384.89 g/mol. Its IUPAC name is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
PubChem CID55931198
Molecular FormulaC20H17ClN2O2S
Molecular Weight384.89 g/mol
Exact Mass384.07
IUPAC NameN-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC(=O)c2sccc2-c2ccccc2)ccc1Cl
InChIInChI=1S/C20H17ClN2O2S/c1-23(2)20(25)16-12-14(8-9-17(16)21)22-19(24)18-15(10-11-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24)
InChIKeyBIBLGMLFXSQVLH-UHFFFAOYSA-N
XLogP5.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide 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

3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 52652606
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-(3-bromophenyl)-3-phenylthiophene-2-carboxamide
CID 26719142
N-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 78792257
N-[3-(methoxymethyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 32637907
2-chloro-5-[(2-hydroxy-2-phenylacetyl)amino]-N,N-dimethylbenzamide
CID 111432348
2-chloro-5-[(3,5-dimethoxybenzoyl)amino]-N,N-dimethylbenzamide
CID 55674801
2-chloro-5-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-N,N-dimethylbenzamide
CID 122132710
methyl 2-[[4-[(3-phenylthiophene-2-carbonyl)amino]benzoyl]amino]acetate
CID 60606150

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide (CID 55931198) is N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide is CN(C)C(=O)c1cc(NC(=O)c2sccc2-c2ccccc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is BIBLGMLFXSQVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2S/c1-23(2)20(25)16-12-14(8-9-17(16)21)22-19(24)18-15(10-11-26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide?
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 384.89 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55931198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).