N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide

C17H20N2O3S — CID 109058037

IUPACN-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3
InChIKeyLBHHQPBQPFWRCV-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide

N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide (PubChem CID 109058037) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
PubChem CID109058037
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-methyl-N-phenyl-4-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3
InChIKeyLBHHQPBQPFWRCV-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109059915
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-[(2-cyanophenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061726
N-methyl-4-[methyl(phenyl)sulfamoyl]-N-phenylbenzamide
CID 21236527
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
3-(3-methoxypropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 109063753
4-[(2,4-dimethylphenyl)sulfamoyl]-N-methyl-N-phenylbenzamide
CID 109061718
N-methyl-4-(propylsulfamoyl)-N-(2-pyridin-4-ylethyl)benzamide
CID 109058007
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide?
The IUPAC name of N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide (CID 109058037) is N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide.
What is the SMILES notation for N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide?
The canonical SMILES for N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1ccc(C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide?
The InChIKey is LBHHQPBQPFWRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-3-13-18-23(21,22)16-11-9-14(10-12-16)17(20)19(2)15-7-5-4-6-8-15/h4-12,18H,3,13H2,1-2H3.
What are the key properties of N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide?
N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-4-(propylsulfamoyl)benzamide is sourced from PubChem (CID 109058037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).