N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide

C21H28N2O3S — CID 109061323

IUPACN-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-5-23(19-8-6-7-17(4)15-19)21(24)18-9-11-20(12-10-18)27(25,26)22-14-13-16(2)3/h6-12,15-16,22H,5,13-14H2,1-4H3
InChIKeyTYUDIIZCUVZDIO-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.99
Rot. Bonds8

About N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide

N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide (PubChem CID 109061323) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
PubChem CID109061323
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide
SMILESCCN(C(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O3S/c1-5-23(19-8-6-7-17(4)15-19)21(24)18-9-11-20(12-10-18)27(25,26)22-14-13-16(2)3/h6-12,15-16,22H,5,13-14H2,1-4H3
InChIKeyTYUDIIZCUVZDIO-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-methylphenyl)-4-(pentylsulfamoyl)benzamide
CID 109061417
4-(cyclopropylsulfamoyl)-N-ethyl-N-(3-methylphenyl)benzamide
CID 109058411
N-ethyl-6-(3-methylbutylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109161223
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
1-N-ethyl-2-N-(3-methylbutyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139998
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide?
The IUPAC name of N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide (CID 109061323) is N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide.
What is the SMILES notation for N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide?
The canonical SMILES for N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide is CCN(C(=O)c1ccc(S(=O)(=O)NCCC(C)C)cc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide?
The InChIKey is TYUDIIZCUVZDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-23(19-8-6-7-17(4)15-19)21(24)18-9-11-20(12-10-18)27(25,26)22-14-13-16(2)3/h6-12,15-16,22H,5,13-14H2,1-4H3.
What are the key properties of N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide?
N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methylbutylsulfamoyl)-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 109061323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).