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

C20H27N3O3S — CID 24650130

IUPAC3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
SMILESCC(C)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-9-8-10-17(13-16)22-27(25,26)18-11-6-5-7-12-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24)
InChIKeyWCRSOXXYMHWJNW-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.80
Rot. Bonds8

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

3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide (PubChem CID 24650130) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
PubChem CID24650130
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
SMILESCC(C)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)N(C)C
InChIInChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-9-8-10-17(13-16)22-27(25,26)18-11-6-5-7-12-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24)
InChIKeyWCRSOXXYMHWJNW-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

4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
CID 18928950
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502452
3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
CID 18928962
3-[[3-(benzenesulfonamido)benzoyl]-propan-2-ylamino]propanoic acid
CID 119206826
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391329
3-(benzenesulfonamido)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 32954431

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide (CID 24650130) is 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide is CC(C)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)N(C)C.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
The InChIKey is WCRSOXXYMHWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15(2)19(23(3)4)14-21-20(24)16-9-8-10-17(13-16)22-27(25,26)18-11-6-5-7-12-18/h5-13,15,19,22H,14H2,1-4H3,(H,21,24).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide?
3-(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 3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide is sourced from PubChem (CID 24650130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).