3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide

C20H34N2O4S — CID 71864150

IUPAC3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(CCO)CC(C)C)ccc1C
InChIInChI=1S/C20H34N2O4S/c1-6-22(7-2)27(25,26)19-13-18(9-8-16(19)5)20(24)21-14-17(10-11-23)12-15(3)4/h8-9,13,15,17,23H,6-7,10-12,14H2,1-5H3,(H,21,24)
InChIKeySEXIKCFGYAFDBB-UHFFFAOYSA-N
MW398.57 g/mol
LogP2.80
Rot. Bonds11

About 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide

3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide (PubChem CID 71864150) has the molecular formula C20H34N2O4S and a molecular weight of 398.57 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
PubChem CID71864150
Molecular FormulaC20H34N2O4S
Molecular Weight398.57 g/mol
Exact Mass398.22
IUPAC Name3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCC(CCO)CC(C)C)ccc1C
InChIInChI=1S/C20H34N2O4S/c1-6-22(7-2)27(25,26)19-13-18(9-8-16(19)5)20(24)21-14-17(10-11-23)12-15(3)4/h8-9,13,15,17,23H,6-7,10-12,14H2,1-5H3,(H,21,24)
InChIKeySEXIKCFGYAFDBB-UHFFFAOYSA-N
XLogP2.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2648443
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119433491
3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
4-acetyl-N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662598
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
(2S)-2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]hexanoic acid
CID 120614682
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide (CID 71864150) is 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(CCO)CC(C)C)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide?
The InChIKey is SEXIKCFGYAFDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4S/c1-6-22(7-2)27(25,26)19-13-18(9-8-16(19)5)20(24)21-14-17(10-11-23)12-15(3)4/h8-9,13,15,17,23H,6-7,10-12,14H2,1-5H3,(H,21,24).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide has a molecular weight of 398.57 g/mol, XLogP of 2.80, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide is sourced from PubChem (CID 71864150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).