3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide

C13H12ClNOS2 — CID 2767953

IUPAC3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNOS2/c1-15-13(16)12-10(7-11(17-2)18-12)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16)
InChIKeyKWZHBTHVHGVQHG-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.15
Rot. Bonds3

About 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide

3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide (PubChem CID 2767953) has the molecular formula C13H12ClNOS2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide
PubChem CID2767953
Molecular FormulaC13H12ClNOS2
Molecular Weight297.83 g/mol
Exact Mass297.00
IUPAC Name3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNOS2/c1-15-13(16)12-10(7-11(17-2)18-12)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16)
InChIKeyKWZHBTHVHGVQHG-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 2805179
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
4-chloro-N-[2-(thiophen-2-yl)ethyl]benzamide
CID 2732263
N-[2-(4-chlorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 1245406
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
N-[1-(4-chlorophenyl)ethyl]-2-thiophenecarboxamide
CID 11838961
N-[(3-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 16378179
3,4-dichloro-N-(2-thiophen-2-ylethyl)benzamide
CID 1511025
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
3-chloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 4035024
N-(4-chlorobenzyl)-3-methylthiophene-2-carboxamide
CID 1225261
N-[2-(3-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 844899

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide (CID 2767953) is 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide is CNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide?
The InChIKey is KWZHBTHVHGVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNOS2/c1-15-13(16)12-10(7-11(17-2)18-12)8-3-5-9(14)6-4-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide?
3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-5-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 2767953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).