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

C14H12N2OS — CID 47407985

IUPACN-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(13-4-2-3-11(7-13)9-15)14(17)8-12-5-6-18-10-12/h2-7,10H,8H2,1H3
InChIKeyCOAUSAIXTZVRNW-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.83
Rot. Bonds3

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

N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 47407985) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
PubChem CID47407985
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(C(=O)Cc1ccsc1)c1cccc(C#N)c1
InChIInChI=1S/C14H12N2OS/c1-16(13-4-2-3-11(7-13)9-15)14(17)8-12-5-6-18-10-12/h2-7,10H,8H2,1H3
InChIKeyCOAUSAIXTZVRNW-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-(4-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide
CID 62981534
2-(3-bromophenyl)-N-(3-cyanophenyl)-N-methylacetamide
CID 60616456
N-(3-cyanophenyl)-N-methyl-3-phenylpropanamide
CID 47407952
N-(3-cyanophenyl)-N,4-dimethylpentanamide
CID 60588260
5-bromo-N-(3-cyanophenyl)-N-methylpentanamide
CID 107910030
N-(3-cyanophenyl)-N-methyl-4-(methylamino)butanamide
CID 62982673
6-amino-N-(3-cyanophenyl)-N-methylhexanamide
CID 62983019
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
2-amino-N-(3-cyanophenyl)-2-ethyl-N-methylbutanamide
CID 79813224
N-(3-cyanophenyl)-4-ethoxy-N-methylbutanamide
CID 78974691
N-(3-cyanophenyl)-N,2-dimethylpentanamide
CID 55151892
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide (CID 47407985) is N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide is CN(C(=O)Cc1ccsc1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is COAUSAIXTZVRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-16(13-4-2-3-11(7-13)9-15)14(17)8-12-5-6-18-10-12/h2-7,10H,8H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide?
N-(3-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-(3-cyanophenyl)-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 47407985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).