2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide

C12H15N3O3S — CID 106337642

IUPAC2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
SMILESCNS(=O)(=O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C12H15N3O3S/c1-14-19(17,18)8-7-15-12(16)11(9-13)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,15,16)
InChIKeyHCGLPOUEAWQXAK-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.04
Rot. Bonds6

About 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide

2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide (PubChem CID 106337642) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
PubChem CID106337642
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
SMILESCNS(=O)(=O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C12H15N3O3S/c1-14-19(17,18)8-7-15-12(16)11(9-13)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,15,16)
InChIKeyHCGLPOUEAWQXAK-UHFFFAOYSA-N
XLogP-0.04
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
CID 110354795
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide (CID 106337642) is 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide is CNS(=O)(=O)CCNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide?
The InChIKey is HCGLPOUEAWQXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-14-19(17,18)8-7-15-12(16)11(9-13)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,15,16).
What are the key properties of 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide?
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide has a molecular weight of 281.34 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 106337642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).