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

C11H13N3O3S — CID 17070813

IUPAC2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H13N3O3S/c1-2-13-18(16,17)10-5-3-9(4-6-10)14-11(15)7-8-12/h3-6,13H,2,7H2,1H3,(H,14,15)
InChIKeyLJOKYEYCYFNGTD-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.84
Rot. Bonds5

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

2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide (PubChem CID 17070813) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
PubChem CID17070813
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C11H13N3O3S/c1-2-13-18(16,17)10-5-3-9(4-6-10)14-11(15)7-8-12/h3-6,13H,2,7H2,1H3,(H,14,15)
InChIKeyLJOKYEYCYFNGTD-UHFFFAOYSA-N
XLogP0.84
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-(3-methoxypropylsulfamoyl)phenyl]acetamide
CID 168522787
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
2-cyano-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 17069573
N-[4-(ethylsulfamoyl)phenyl]-4-(pentanoylamino)benzamide
CID 2229397
4-(ethylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 9411634
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide (CID 17070813) is 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide is CCNS(=O)(=O)c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide?
The InChIKey is LJOKYEYCYFNGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-2-13-18(16,17)10-5-3-9(4-6-10)14-11(15)7-8-12/h3-6,13H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide?
2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide has a molecular weight of 267.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(ethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 17070813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).