2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide

C13H18N4O3S — CID 86979758

IUPAC2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
SMILESCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N4O3S/c1-16(10-6-9-14)21(19,20)17(2)11-13(18)15-12-7-4-3-5-8-12/h3-5,7-8H,6,10-11H2,1-2H3,(H,15,18)
InChIKeySPVNBHOLWKNKOR-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.65
Rot. Bonds7

About 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide

2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide (PubChem CID 86979758) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
PubChem CID86979758
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
SMILESCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C13H18N4O3S/c1-16(10-6-9-14)21(19,20)17(2)11-13(18)15-12-7-4-3-5-8-12/h3-5,7-8H,6,10-11H2,1-2H3,(H,15,18)
InChIKeySPVNBHOLWKNKOR-UHFFFAOYSA-N
XLogP0.65
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
CID 86928405
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
3-[(2-anilino-2-oxoethyl)-methylsulfamoyl]propanoic acid
CID 60950687
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 51087127
3-[methyl-[methyl-[(2-methylphenyl)methyl]sulfamoyl]amino]propanenitrile
CID 134060157
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 35329297
2-[2-hydroxyethyl(propan-2-yl)amino]-N-phenylacetamide
CID 60696762
2-[cyanomethyl(propyl)amino]-N-(4-phenylphenyl)acetamide
CID 47069088
2-[benzyl(methylsulfonyl)amino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100799942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide (CID 86979758) is 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide is CN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide?
The InChIKey is SPVNBHOLWKNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-16(10-6-9-14)21(19,20)17(2)11-13(18)15-12-7-4-3-5-8-12/h3-5,7-8H,6,10-11H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide?
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide has a molecular weight of 310.38 g/mol, XLogP of 0.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide is sourced from PubChem (CID 86979758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).