N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide

C16H16N2OS — CID 3610658

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
SMILESCCc1c(C)sc(NC(=O)Cc2ccccc2)c1C#N
InChIInChI=1S/C16H16N2OS/c1-3-13-11(2)20-16(14(13)10-17)18-15(19)9-12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyWKGHMMPNHFONNF-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.67
Rot. Bonds4

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide (PubChem CID 3610658) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
PubChem CID3610658
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide
SMILESCCc1c(C)sc(NC(=O)Cc2ccccc2)c1C#N
InChIInChI=1S/C16H16N2OS/c1-3-13-11(2)20-16(14(13)10-17)18-15(19)9-12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKeyWKGHMMPNHFONNF-UHFFFAOYSA-N
XLogP3.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
CID 4244032
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2217163
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8720032
ethyl 3-cyano-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3316497
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5096891
2-(2-aminophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 61111501
2-(2-chlorophenyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 17173428
cis-(1R,2S)-2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 868751
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-thiophen-2-ylacetamide
CID 1247526
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17174170

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide (CID 3610658) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide is CCc1c(C)sc(NC(=O)Cc2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide?
The InChIKey is WKGHMMPNHFONNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-13-11(2)20-16(14(13)10-17)18-15(19)9-12-7-5-4-6-8-12/h4-8H,3,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide has a molecular weight of 284.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-phenylacetamide is sourced from PubChem (CID 3610658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).