N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

C15H22N4O3S — CID 113150229

IUPACN-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N4O3S/c1-18(2)9-4-10-19(23(3,21)22)12-15(20)17-14-7-5-13(11-16)6-8-14/h5-8H,4,9-10,12H2,1-3H3,(H,17,20)
InChIKeyNGLZWAPZPXZCOK-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.71
Rot. Bonds8

About N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide

N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (PubChem CID 113150229) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
PubChem CID113150229
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
SMILESCN(C)CCCN(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N4O3S/c1-18(2)9-4-10-19(23(3,21)22)12-15(20)17-14-7-5-13(11-16)6-8-14/h5-8H,4,9-10,12H2,1-3H3,(H,17,20)
InChIKeyNGLZWAPZPXZCOK-UHFFFAOYSA-N
XLogP0.71
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151892
N-(4-bromophenyl)-2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetamide
CID 113149884
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
CID 78925005
N-(4-cyanophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141371
N-(4-cyanophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152253
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
CID 113148818
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(4-methylphenyl)propanamide
CID 113138377
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
ethyl 4-[[2-[2-(dimethylamino)ethyl-methylsulfonylamino]acetyl]amino]benzoate
CID 113149927

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide (CID 113150229) is N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is CN(C)CCCN(CC(=O)Nc1ccc(C#N)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
The InChIKey is NGLZWAPZPXZCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-18(2)9-4-10-19(23(3,21)22)12-15(20)17-14-7-5-13(11-16)6-8-14/h5-8H,4,9-10,12H2,1-3H3,(H,17,20).
What are the key properties of N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide?
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113150229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).