3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide

C17H29N3O3S — CID 109064177

IUPAC3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)NCCCN(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-14(2)9-11-18-17(21)15-7-5-8-16(13-15)24(22,23)19-10-6-12-20(3)4/h5,7-8,13-14,19H,6,9-12H2,1-4H3,(H,18,21)
InChIKeyJBRLUIHENKZMQU-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.69
Rot. Bonds10

About 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide

3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 109064177) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID109064177
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)NCCCN(C)C)c1
InChIInChI=1S/C17H29N3O3S/c1-14(2)9-11-18-17(21)15-7-5-8-16(13-15)24(22,23)19-10-6-12-20(3)4/h5,7-8,13-14,19H,6,9-12H2,1-4H3,(H,18,21)
InChIKeyJBRLUIHENKZMQU-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-benzyl-3-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109064162
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
N-(4-methylpentyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 32628850
3-(3-methylbutylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 109064621
N-(3-methylbutyl)-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064786
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
N-[3-(dimethylamino)propyl]-3-[(2-ethylphenyl)sulfamoyl]benzamide
CID 109064243
3-[(2-chlorophenyl)sulfamoyl]-N-[3-(dimethylamino)propyl]benzamide
CID 109064248

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide (CID 109064177) is 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1cccc(S(=O)(=O)NCCCN(C)C)c1.
What is the InChIKey of 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is JBRLUIHENKZMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-14(2)9-11-18-17(21)15-7-5-8-16(13-15)24(22,23)19-10-6-12-20(3)4/h5,7-8,13-14,19H,6,9-12H2,1-4H3,(H,18,21).
What are the key properties of 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide?
3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 355.50 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylsulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 109064177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).