5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide

C20H15ClN2OS — CID 39858601

IUPAC5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H15ClN2OS/c1-23(13-15-4-2-14(12-22)3-5-15)20(24)19-11-10-18(25-19)16-6-8-17(21)9-7-16/h2-11H,13H2,1H3
InChIKeyLGQGLKAUMAQXFH-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.21
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide

5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 39858601) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID39858601
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H15ClN2OS/c1-23(13-15-4-2-14(12-22)3-5-15)20(24)19-11-10-18(25-19)16-6-8-17(21)9-7-16/h2-11H,13H2,1H3
InChIKeyLGQGLKAUMAQXFH-UHFFFAOYSA-N
XLogP5.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-cyanophenyl)-N-methylpropanamide
CID 31988955
N-[(4-cyanophenyl)methyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 39859920
5-amino-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 61107084
N-[(4-cyanophenyl)methyl]-3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 39862065
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 34730083
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 39858894
5-amino-N-[(4-cyanophenyl)methyl]-2-fluoro-N-methylbenzamide
CID 61105399
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
N-[(4-cyanophenyl)methyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39859555
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847751

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide (CID 39858601) is 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LGQGLKAUMAQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c1-23(13-15-4-2-14(12-22)3-5-15)20(24)19-11-10-18(25-19)16-6-8-17(21)9-7-16/h2-11H,13H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 39858601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).