3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide

C20H35N3O3S — CID 27231281

IUPAC3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCN(C(C)C)C(C)C)ccc1C
InChIInChI=1S/C20H35N3O3S/c1-8-22(9-2)27(25,26)19-14-18(11-10-17(19)7)20(24)21-12-13-23(15(3)4)16(5)6/h10-11,14-16H,8-9,12-13H2,1-7H3,(H,21,24)
InChIKeyJKOXEWPBSQWHGX-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.87
Rot. Bonds10

About 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide

3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide (PubChem CID 27231281) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
PubChem CID27231281
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC Name3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCN(C(C)C)C(C)C)ccc1C
InChIInChI=1S/C20H35N3O3S/c1-8-22(9-2)27(25,26)19-14-18(11-10-17(19)7)20(24)21-12-13-23(15(3)4)16(5)6/h10-11,14-16H,8-9,12-13H2,1-7H3,(H,21,24)
InChIKeyJKOXEWPBSQWHGX-UHFFFAOYSA-N
XLogP2.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-(diethylsulfamoyl)-4-methyl-N-(3-phenylpropyl)benzamide
CID 27647029
3-(diethylsulfamoyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-methylbenzamide
CID 71864150
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
CID 26241292
N-butan-2-yl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 134006059
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
ethyl N-[1-[[3-(diethylsulfamoyl)-4-methylbenzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 46432510

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide (CID 27231281) is 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCN(C(C)C)C(C)C)ccc1C.
What is the InChIKey of 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide?
The InChIKey is JKOXEWPBSQWHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-8-22(9-2)27(25,26)19-14-18(11-10-17(19)7)20(24)21-12-13-23(15(3)4)16(5)6/h10-11,14-16H,8-9,12-13H2,1-7H3,(H,21,24).
What are the key properties of 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide?
3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide has a molecular weight of 397.59 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 27231281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).