2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

C17H17N3O3S — CID 168522081

IUPAC2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H17N3O3S/c18-12-10-17(21)20-15-6-8-16(9-7-15)24(22,23)19-13-11-14-4-2-1-3-5-14/h1-9,19H,10-11,13H2,(H,20,21)
InChIKeyOGAPVCLIJQEKEH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.06
Rot. Bonds7

About 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (PubChem CID 168522081) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
PubChem CID168522081
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H17N3O3S/c18-12-10-17(21)20-15-6-8-16(9-7-15)24(22,23)19-13-11-14-4-2-1-3-5-14/h1-9,19H,10-11,13H2,(H,20,21)
InChIKeyOGAPVCLIJQEKEH-UHFFFAOYSA-N
XLogP2.06
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 17070813
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
4-bromo-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 5049971
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4110983

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (CID 168522081) is 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The InChIKey is OGAPVCLIJQEKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-12-10-17(21)20-15-6-8-16(9-7-15)24(22,23)19-13-11-14-4-2-1-3-5-14/h1-9,19H,10-11,13H2,(H,20,21).
What are the key properties of 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 168522081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).