4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide

C20H27N3O3S — CID 24650129

IUPAC4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
SMILESCC(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-10-12-17(13-11-16)22-27(25,26)18-8-6-5-7-9-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24)
InChIKeyGKUNUFYPPIEPCZ-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.80
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide

4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide (PubChem CID 24650129) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
PubChem CID24650129
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
SMILESCC(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-10-12-17(13-11-16)22-27(25,26)18-8-6-5-7-9-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24)
InChIKeyGKUNUFYPPIEPCZ-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650130
4-(benzenesulfonamido)-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120653123
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391278
4-[(4-methylphenyl)sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164353
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058890
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
N-(2-hydroxypropyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 78800316
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
2-methylpropyl 4-(benzenesulfonamido)benzoate
CID 805921
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
N-[2-(dimethylamino)-2-phenylethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 24818233

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide (CID 24650129) is 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide is CC(C)C(CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)N(C)C.
What is the InChIKey of 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The InChIKey is GKUNUFYPPIEPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-10-12-17(13-11-16)22-27(25,26)18-8-6-5-7-9-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24).
What are the key properties of 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide is sourced from PubChem (CID 24650129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).