N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide

C20H26N2O3S — CID 109064577

IUPACN-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-12-22(3)20(23)18-10-7-11-19(14-18)26(24,25)21-15-17-9-6-8-16(2)13-17/h6-11,13-14,21H,4-5,12,15H2,1-3H3
InChIKeySEKYJBSDDMORJX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.35
Rot. Bonds8

About N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide

N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109064577) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109064577
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1
InChIInChI=1S/C20H26N2O3S/c1-4-5-12-22(3)20(23)18-10-7-11-19(14-18)26(24,25)21-15-17-9-6-8-16(2)13-17/h6-11,13-14,21H,4-5,12,15H2,1-3H3
InChIKeySEKYJBSDDMORJX-UHFFFAOYSA-N
XLogP3.35
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-butyl-3-[(2-fluorophenyl)methylsulfamoyl]-N-methylbenzamide
CID 109064691
3-[4-(benzylsulfamoyl)phenyl]-N-butyl-N-methylbenzamide
CID 46385991
N-butyl-3-(3-methoxypropylsulfamoyl)-N-methylbenzamide
CID 109063745
N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
CID 109065532
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
3-(benzylsulfamoyl)-N-methoxy-N-methylbenzamide
CID 17421800
N-butyl-N-methyl-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065512
N-butyl-3-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 17480264
4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109064577) is N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1.
What is the InChIKey of N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is SEKYJBSDDMORJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-12-22(3)20(23)18-10-7-11-19(14-18)26(24,25)21-15-17-9-6-8-16(2)13-17/h6-11,13-14,21H,4-5,12,15H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109064577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).