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

C14H12N2OS — CID 47162733

IUPACN-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESN#Cc1cccc(CNC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H12N2OS/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1-7H,8,10H2,(H,16,17)
InChIKeyISKNMDSEUFEECI-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.48
Rot. Bonds4

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

N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 47162733) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID47162733
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC NameN-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
SMILESN#Cc1cccc(CNC(=O)Cc2cccs2)c1
InChIInChI=1S/C14H12N2OS/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1-7H,8,10H2,(H,16,17)
InChIKeyISKNMDSEUFEECI-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
2-(5-amino-2-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 107337886
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
3-(3-aminoprop-1-ynyl)-N-[(3-cyanophenyl)methyl]thiophene-2-carboxamide
CID 63801283
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide (CID 47162733) is N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide is N#Cc1cccc(CNC(=O)Cc2cccs2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is ISKNMDSEUFEECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-9-11-3-1-4-12(7-11)10-16-14(17)8-13-5-2-6-18-13/h1-7H,8,10H2,(H,16,17).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 256.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 47162733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).