N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide

C15H20N2O2S — CID 64691685

IUPACN-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide
SMILESCc1ccc(C)c(S(=O)CCC(=O)N(C)CCC#N)c1
InChIInChI=1S/C15H20N2O2S/c1-12-5-6-13(2)14(11-12)20(19)10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeySVZWHKCQNJBAPM-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.17
Rot. Bonds6

About N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide

N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide (PubChem CID 64691685) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide
PubChem CID64691685
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide
SMILESCc1ccc(C)c(S(=O)CCC(=O)N(C)CCC#N)c1
InChIInChI=1S/C15H20N2O2S/c1-12-5-6-13(2)14(11-12)20(19)10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3
InChIKeySVZWHKCQNJBAPM-UHFFFAOYSA-N
XLogP2.17
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-(2,5-dichlorophenyl)sulfinyl-N-methylpropanamide
CID 64691689
N-(2-cyanoethyl)-N-methyl-3-(4-propan-2-ylphenyl)sulfinylpropanamide
CID 64692307
N-(2-cyanoethyl)-N-methyl-2-(4-methylphenyl)sulfinylacetamide
CID 64691480
N-(2-cyanoethyl)-N-methyl-3-[(2-methylphenyl)methylsulfinyl]propanamide
CID 64692485
N-(2-cyanoethyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide
CID 43243762
N-(2-cyanoethyl)-3-(3,4-dimethylphenyl)sulfanyl-N-methylpropanamide
CID 43214065
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
N-(2-cyanoethyl)-3-(5-cyano-2-methylphenoxy)-N-methylpropanamide
CID 107658067
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
N-(2-cyanoethyl)-2-(3,4-dimethylphenyl)sulfanyl-N-methylacetamide
CID 43213482
N-(2-cyanoethyl)-N-methyl-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 78796839

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide (CID 64691685) is N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide is Cc1ccc(C)c(S(=O)CCC(=O)N(C)CCC#N)c1.
What is the InChIKey of N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide?
The InChIKey is SVZWHKCQNJBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-5-6-13(2)14(11-12)20(19)10-7-15(18)17(3)9-4-8-16/h5-6,11H,4,7,9-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide?
N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(2,5-dimethylphenyl)sulfinyl-N-methylpropanamide is sourced from PubChem (CID 64691685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).