2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide

C16H22N2OS — CID 115985802

IUPAC2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
SMILESCCC(CSC)N(C)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-4-15(12-20-3)18(2)16(19)14(11-17)10-13-8-6-5-7-9-13/h5-9,14-15H,4,10,12H2,1-3H3
InChIKeyIGAXNQMJLSYLDM-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.97
Rot. Bonds7

About 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide

2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide (PubChem CID 115985802) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
PubChem CID115985802
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide
SMILESCCC(CSC)N(C)C(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C16H22N2OS/c1-4-15(12-20-3)18(2)16(19)14(11-17)10-13-8-6-5-7-9-13/h5-9,14-15H,4,10,12H2,1-3H3
InChIKeyIGAXNQMJLSYLDM-UHFFFAOYSA-N
XLogP2.97
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-cyano-N-(2-ethoxyethyl)-N-ethyl-3-phenylpropanamide
CID 63692537
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-cyano-N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
CID 63286555
2-cyano-N-methyl-N-(oxolan-3-yl)-3-phenylpropanamide
CID 82737962
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-phenylpropanamide
CID 112659179
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 112659461
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropanamide
CID 63273982
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
3-(4-chlorophenyl)-2-cyano-N,N-dimethylpropanamide
CID 82116808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide (CID 115985802) is 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide is CCC(CSC)N(C)C(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide?
The InChIKey is IGAXNQMJLSYLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-15(12-20-3)18(2)16(19)14(11-17)10-13-8-6-5-7-9-13/h5-9,14-15H,4,10,12H2,1-3H3.
What are the key properties of 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide?
2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide has a molecular weight of 290.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-N-(1-methylsulfanylbutan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 115985802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).