4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide

C19H21N3O3S — CID 4810842

IUPAC4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)26(24,25)17-11-6-14(3)18(12-17)21-19(23)16-9-7-15(13-20)8-10-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyAFTQUMDQWORVIG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.15
Rot. Bonds6

About 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide

4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide (PubChem CID 4810842) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
PubChem CID4810842
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(5-2)26(24,25)17-11-6-14(3)18(12-17)21-19(23)16-9-7-15(13-20)8-10-16/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyAFTQUMDQWORVIG-UHFFFAOYSA-N
XLogP3.15
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 5218436
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
3-(2,2-dicyanoethenylamino)-N,N-diethyl-4-methylbenzenesulfonamide
CID 26485785
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
2-(4-cyanophenoxy)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 7929166
N-(5-amino-2-methylphenyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 120569164
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-phenylbenzamide
CID 26774002
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(methylsulfanylmethyl)benzamide
CID 30723480
N-[2-(3-cyanoanilino)-2-oxoethyl]-4-(diethylsulfamoyl)benzamide
CID 9245668

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide?
The IUPAC name of 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide (CID 4810842) is 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide?
The InChIKey is AFTQUMDQWORVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(5-2)26(24,25)17-11-6-14(3)18(12-17)21-19(23)16-9-7-15(13-20)8-10-16/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide?
4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide has a molecular weight of 371.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[5-(diethylsulfamoyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 4810842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).