N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide

C13H12ClNOS2 — CID 107024271

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C13H12ClNOS2/c1-15(7-9-2-4-10(14)5-3-9)13(16)12-6-11(17)8-18-12/h2-6,8,17H,7H2,1H3
InChIKeyMLJSIIZEYVZXGT-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.96
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide (PubChem CID 107024271) has the molecular formula C13H12ClNOS2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
PubChem CID107024271
Molecular FormulaC13H12ClNOS2
Molecular Weight297.83 g/mol
Exact Mass297.00
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
SMILESCN(Cc1ccc(Cl)cc1)C(=O)c1cc(S)cs1
InChIInChI=1S/C13H12ClNOS2/c1-15(7-9-2-4-10(14)5-3-9)13(16)12-6-11(17)8-18-12/h2-6,8,17H,7H2,1H3
InChIKeyMLJSIIZEYVZXGT-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-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

N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-benzyl-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107020696
N-methyl-N-propyl-4-sulfanylthiophene-2-carboxamide
CID 107022451
N-[(2-bromophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide
CID 107024313
N-[(4-chlorophenyl)methyl]-4-hydroxy-N-methylbenzamide
CID 60628298
N-benzyl-N-ethyl-4-sulfanylthiophene-2-carboxamide
CID 107022163
N-methyl-4-sulfanyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 107023496
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
4-[(4-chlorophenyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730122
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide (CID 107024271) is N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide is CN(Cc1ccc(Cl)cc1)C(=O)c1cc(S)cs1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide?
The InChIKey is MLJSIIZEYVZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS2/c1-15(7-9-2-4-10(14)5-3-9)13(16)12-6-11(17)8-18-12/h2-6,8,17H,7H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-4-sulfanylthiophene-2-carboxamide is sourced from PubChem (CID 107024271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).