N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide

C15H14N2OS — CID 5199121

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
SMILESCc1sc(NC(=O)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2OS/c1-10-11(2)19-15(13(10)9-16)17-14(18)8-12-6-4-3-5-7-12/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyYYXCGMSSMYLPKS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.42
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide (PubChem CID 5199121) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
PubChem CID5199121
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
SMILESCc1sc(NC(=O)Cc2ccccc2)c(C#N)c1C
InChIInChI=1S/C15H14N2OS/c1-10-11(2)19-15(13(10)9-16)17-14(18)8-12-6-4-3-5-7-12/h3-7H,8H2,1-2H3,(H,17,18)
InChIKeyYYXCGMSSMYLPKS-UHFFFAOYSA-N
XLogP3.42
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
CID 3610658
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-iodoacetamide
CID 64787572
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-hydroxypentanamide
CID 79193048
5-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoic acid
CID 766685
2-[benzyl(furan-2-ylmethyl)amino]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 78825305
2-[[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 78821213
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 61252850

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide (CID 5199121) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide is Cc1sc(NC(=O)Cc2ccccc2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
The InChIKey is YYXCGMSSMYLPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-11(2)19-15(13(10)9-16)17-14(18)8-12-6-4-3-5-7-12/h3-7H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide has a molecular weight of 270.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide is sourced from PubChem (CID 5199121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).