N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide

C19H21N3O3S — CID 109061321

IUPACN-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)10-11-21-26(24,25)18-8-6-16(7-9-18)19(23)22-17-5-3-4-15(12-17)13-20/h3-9,12,14,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyIBOZFHGNUAELKH-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.13
Rot. Bonds7

About N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide

N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061321) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061321
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C19H21N3O3S/c1-14(2)10-11-21-26(24,25)18-8-6-16(7-9-18)19(23)22-17-5-3-4-15(12-17)13-20/h3-9,12,14,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyIBOZFHGNUAELKH-UHFFFAOYSA-N
XLogP3.13
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
CID 9245616
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
5-N-(3-cyanophenyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107206
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide (CID 109061321) is N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide is CC(C)CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is IBOZFHGNUAELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14(2)10-11-21-26(24,25)18-8-6-16(7-9-18)19(23)22-17-5-3-4-15(12-17)13-20/h3-9,12,14,21H,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide?
N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 371.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).