N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide

C13H12ClNO3S — CID 17401848

IUPACN-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccsc2)c(OC)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c1-17-11-6-10(12(18-2)5-9(11)14)15-13(16)8-3-4-19-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeySPFLPIOUKCEMSP-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.67
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide (PubChem CID 17401848) has the molecular formula C13H12ClNO3S and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
PubChem CID17401848
Molecular FormulaC13H12ClNO3S
Molecular Weight297.76 g/mol
Exact Mass297.02
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccsc2)c(OC)cc1Cl
InChIInChI=1S/C13H12ClNO3S/c1-17-11-6-10(12(18-2)5-9(11)14)15-13(16)8-3-4-19-7-8/h3-7H,1-2H3,(H,15,16)
InChIKeySPFLPIOUKCEMSP-UHFFFAOYSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-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

4,5-dimethoxy-2-(thiophene-3-carbonylamino)benzoic acid
CID 16771039
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
methyl 3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 46485057
N-(4-cyano-2-methoxyphenyl)thiophene-3-carboxamide
CID 113460384
N-(4-chloro-2,5-dimethoxyphenyl)-3-fluorobenzamide
CID 4060765
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(5-chloro-2-methoxyphenyl)-2-(thiophene-3-carbonylamino)-1,3-oxazole-4-carboxamide
CID 71788377
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481
N-(4-chloro-2,5-dimethoxyphenyl)-4-(phenoxymethyl)benzamide
CID 26620629

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide (CID 17401848) is N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide is COc1cc(NC(=O)c2ccsc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide?
The InChIKey is SPFLPIOUKCEMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3S/c1-17-11-6-10(12(18-2)5-9(11)14)15-13(16)8-3-4-19-7-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide has a molecular weight of 297.76 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide is sourced from PubChem (CID 17401848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).