N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide

C14H12N2OS — CID 62981534

IUPACN-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-16(13-4-2-11(9-15)3-5-13)14(17)8-12-6-7-18-10-12/h2-7,10H,8H2,1H3
InChIKeyZYQMIZGMVVFJEU-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds3

About N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide

N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 62981534) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
PubChem CID62981534
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H12N2OS/c1-16(13-4-2-11(9-15)3-5-13)14(17)8-12-6-7-18-10-12/h2-7,10H,8H2,1H3
InChIKeyZYQMIZGMVVFJEU-UHFFFAOYSA-N
XLogP2.83
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 47407985
N-(4-cyanophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 62982241
2-bromo-N-(4-cyanophenyl)-N-methylacetamide
CID 63679745
4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
N-(4-cyanophenyl)-2-(2,5-dimethylphenyl)-N-methylacetamide
CID 62981903
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
2-(4-cyanophenyl)-N-methyl-N-(2-methylphenyl)acetamide
CID 63613721
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-(4-cyanophenyl)-N,3-dimethylpentanamide
CID 114874745
N-(4-cyanophenyl)-N-methyldecanamide
CID 65449344
2-[2-(4-cyano-N-methylanilino)-2-oxoethoxy]acetic acid
CID 62983344
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide (CID 62981534) is N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide is CN(C(=O)Cc1ccsc1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is ZYQMIZGMVVFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(13-4-2-11(9-15)3-5-13)14(17)8-12-6-7-18-10-12/h2-7,10H,8H2,1H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 256.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 62981534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).