3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide

C14H19N3O3S — CID 103722462

IUPAC3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-16-14(18)7-8-17(2)9-10-21(19,20)13-5-3-12(11-15)4-6-13/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyOZKYRGUCGJLXEO-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.40
Rot. Bonds7

About 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide

3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide (PubChem CID 103722462) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide
PubChem CID103722462
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CCS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-16-14(18)7-8-17(2)9-10-21(19,20)13-5-3-12(11-15)4-6-13/h3-6H,7-10H2,1-2H3,(H,16,18)
InChIKeyOZKYRGUCGJLXEO-UHFFFAOYSA-N
XLogP0.40
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide (CID 103722462) is 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CCS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide?
The InChIKey is OZKYRGUCGJLXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-16-14(18)7-8-17(2)9-10-21(19,20)13-5-3-12(11-15)4-6-13/h3-6H,7-10H2,1-2H3,(H,16,18).
What are the key properties of 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide?
3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyanophenyl)sulfonylethyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103722462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).