N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide

C13H17N3O3S — CID 78925005

IUPACN-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
SMILESCN(CCS(C)(=O)=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O3S/c1-16(7-8-20(2,18)19)10-13(17)15-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3,(H,15,17)
InChIKeyDAFKGZJDRPIOCO-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.47
Rot. Bonds6

About N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide

N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide (PubChem CID 78925005) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
PubChem CID78925005
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide
SMILESCN(CCS(C)(=O)=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H17N3O3S/c1-16(7-8-20(2,18)19)10-13(17)15-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3,(H,15,17)
InChIKeyDAFKGZJDRPIOCO-UHFFFAOYSA-N
XLogP0.47
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434
N-(4-cyanophenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8712093
N-(4-cyanophenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 80710244
N-(4-cyanophenyl)-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150229
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-cyanophenyl)-4-(2-methylsulfonylethylsulfanyl)butanamide
CID 63658851
2-[butan-2-yl(methylsulfonyl)amino]-N-(4-cyanophenyl)acetamide
CID 113148818
N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-aminophenyl)-3-[methyl(2-methylsulfonylethyl)amino]propanamide
CID 79844997
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
3-[benzyl(methyl)amino]-N-(4-cyanophenyl)propanamide
CID 28792972

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide (CID 78925005) is N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide is CN(CCS(C)(=O)=O)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide?
The InChIKey is DAFKGZJDRPIOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16(7-8-20(2,18)19)10-13(17)15-12-5-3-11(9-14)4-6-12/h3-6H,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide?
N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide has a molecular weight of 295.36 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[methyl(2-methylsulfonylethyl)amino]acetamide is sourced from PubChem (CID 78925005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).