N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide

C19H21N3O3S — CID 109061458

IUPACN-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-4-13-22(2)19(23)16-7-11-18(12-8-16)26(24,25)21-17-9-5-15(14-20)6-10-17/h5-12,21H,3-4,13H2,1-2H3
InChIKeySVIGQOOCEXXYFG-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.23
Rot. Bonds7

About N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide

N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109061458) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
PubChem CID109061458
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-4-13-22(2)19(23)16-7-11-18(12-8-16)26(24,25)21-17-9-5-15(14-20)6-10-17/h5-12,21H,3-4,13H2,1-2H3
InChIKeySVIGQOOCEXXYFG-UHFFFAOYSA-N
XLogP3.23
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061461
N-butyl-4-[(3-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061451
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
4-cyano-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 64794703

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide (CID 109061458) is N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is SVIGQOOCEXXYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-4-13-22(2)19(23)16-7-11-18(12-8-16)26(24,25)21-17-9-5-15(14-20)6-10-17/h5-12,21H,3-4,13H2,1-2H3.
What are the key properties of N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 371.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[(4-cyanophenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109061458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).