N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide

C20H26N2O3S — CID 109060624

IUPACN-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-8-10-19(11-9-17)26(24,25)22-14-18-7-5-4-6-16(18)3/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyRFEYCMGISBTTPH-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.25
Rot. Bonds8

About N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide

N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109060624) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109060624
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1ccccc1CNS(=O)(=O)c1ccc(C(=O)NCCC(C)C)cc1
InChIInChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-8-10-19(11-9-17)26(24,25)22-14-18-7-5-4-6-16(18)3/h4-11,15,22H,12-14H2,1-3H3,(H,21,23)
InChIKeyRFEYCMGISBTTPH-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-[(2-methylphenyl)methylsulfamoyl]benzamide
CID 109058575
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
4-[(2-methoxyphenyl)methylsulfamoyl]-N-pentylbenzamide
CID 109060818
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-[4-(benzylsulfamoyl)phenyl]-N-(2-methylpropyl)benzamide
CID 20973707
4-(cycloheptylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 109061209
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide (CID 109060624) is N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide is Cc1ccccc1CNS(=O)(=O)c1ccc(C(=O)NCCC(C)C)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is RFEYCMGISBTTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)12-13-21-20(23)17-8-10-19(11-9-17)26(24,25)22-14-18-7-5-4-6-16(18)3/h4-11,15,22H,12-14H2,1-3H3,(H,21,23).
What are the key properties of N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide?
N-(3-methylbutyl)-4-[(2-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.25, 8 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-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109060624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).