N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide

C21H28N2O3S — CID 109065532

IUPACN-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC)c2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O3S/c1-5-7-14-22(4)21(24)18-11-9-13-20(16-18)27(25,26)23(6-2)19-12-8-10-17(3)15-19/h8-13,15-16H,5-7,14H2,1-4H3
InChIKeyWZQGDUDYOFVZIB-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.08
Rot. Bonds8

About N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide

N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide (PubChem CID 109065532) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
PubChem CID109065532
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC)c2cccc(C)c2)c1
InChIInChI=1S/C21H28N2O3S/c1-5-7-14-22(4)21(24)18-11-9-13-20(16-18)27(25,26)23(6-2)19-12-8-10-17(3)15-19/h8-13,15-16H,5-7,14H2,1-4H3
InChIKeyWZQGDUDYOFVZIB-UHFFFAOYSA-N
XLogP4.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-(3-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063706
N-butyl-N-methyl-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064577
4-N-butyl-2-N-ethyl-4-N-methyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109090030
4-acetyl-N-ethyl-N-(3-methylphenyl)benzenesulfonamide
CID 5180970
N-butyl-N-methyl-3-[(4-methylphenyl)methylsulfamoyl]benzamide
CID 109064605
N-butyl-N-methyl-3-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109065020
1-N-butyl-3-N,3-N-diethyl-1-N-methylbenzene-1,3-dicarboxamide
CID 109055821
1-N-butyl-3-N-ethyl-1-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109056371
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
N-butyl-3-(cyclopentylsulfamoyl)-N-methylbenzamide
CID 37154343
N-ethyl-3-[[(4-methylbenzoyl)amino]carbamoyl]-N-phenylbenzenesulfonamide
CID 2421051
4-[ethyl-(3-methylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109058243

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide?
The IUPAC name of N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide (CID 109065532) is N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide?
The canonical SMILES for N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(S(=O)(=O)N(CC)c2cccc(C)c2)c1.
What is the InChIKey of N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide?
The InChIKey is WZQGDUDYOFVZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-7-14-22(4)21(24)18-11-9-13-20(16-18)27(25,26)23(6-2)19-12-8-10-17(3)15-19/h8-13,15-16H,5-7,14H2,1-4H3.
What are the key properties of N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide?
N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[ethyl-(3-methylphenyl)sulfamoyl]-N-methylbenzamide is sourced from PubChem (CID 109065532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).