N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide

C20H26N2O3S — CID 109061010

IUPACN-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16(2)12-14-21-20(23)18-8-10-19(11-9-18)26(24,25)22-15-13-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyKBCZANXDQYCLBT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.98
Rot. Bonds9

About N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide

N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide (PubChem CID 109061010) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
PubChem CID109061010
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-16(2)12-14-21-20(23)18-8-10-19(11-9-18)26(24,25)22-15-13-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23)
InChIKeyKBCZANXDQYCLBT-UHFFFAOYSA-N
XLogP2.98
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide 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

4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
4-(butylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 109058705
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109060624
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
4-tert-butyl-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3595428
4-(2-ethylbutanoylamino)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 17309261
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide (CID 109061010) is N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide is CC(C)CCNC(=O)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide?
The InChIKey is KBCZANXDQYCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16(2)12-14-21-20(23)18-8-10-19(11-9-18)26(24,25)22-15-13-17-6-4-3-5-7-17/h3-11,16,22H,12-15H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide?
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide is sourced from PubChem (CID 109061010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).