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

C23H22N2OS — CID 4244032

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
SMILESCCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C#N
InChIInChI=1S/C23H22N2OS/c1-3-19-16(2)27-23(21(19)15-24)25-22(26)14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,20H,3,14H2,1-2H3,(H,25,26)
InChIKeyWJEXUZKEQAJTKB-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.65
Rot. Bonds6

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

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide (PubChem CID 4244032) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
PubChem CID4244032
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide
SMILESCCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C#N
InChIInChI=1S/C23H22N2OS/c1-3-19-16(2)27-23(21(19)15-24)25-22(26)14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,20H,3,14H2,1-2H3,(H,25,26)
InChIKeyWJEXUZKEQAJTKB-UHFFFAOYSA-N
XLogP5.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.65
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
methyl 2-(3,3-diphenylpropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate
CID 4080664
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
ethyl 3-cyano-2-(3,3-diphenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993633
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2217163
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3-diphenylpropanamide
CID 3650163
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5096891
N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,3-diphenylpropanamide
CID 2399681
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3-diphenylpropanamide
CID 3604497
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17174170
ethyl 2-[(3-acetamido-3-phenylpropanoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 55335290

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide (CID 4244032) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide is CCc1c(C)sc(NC(=O)CC(c2ccccc2)c2ccccc2)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide?
The InChIKey is WJEXUZKEQAJTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-3-19-16(2)27-23(21(19)15-24)25-22(26)14-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,20H,3,14H2,1-2H3,(H,25,26).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3-diphenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 5.65, 6 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)-3,3-diphenylpropanamide is sourced from PubChem (CID 4244032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).