N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide

C18H23N3O3S — CID 120831499

IUPACN-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-14(19-2)13-20-18(22)15-8-7-11-17(12-15)25(23,24)21(3)16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,20,22)
InChIKeyDQAWRKZEJBUUMM-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.85
Rot. Bonds7

About N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide

N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 120831499) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID120831499
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H23N3O3S/c1-14(19-2)13-20-18(22)15-8-7-11-17(12-15)25(23,24)21(3)16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,20,22)
InChIKeyDQAWRKZEJBUUMM-UHFFFAOYSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
N-tert-butyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 4963740
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-[methyl(phenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 26591232
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
N-[(2-methoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2713335
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide (CID 120831499) is N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide is CNC(C)CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is DQAWRKZEJBUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-14(19-2)13-20-18(22)15-8-7-11-17(12-15)25(23,24)21(3)16-9-5-4-6-10-16/h4-12,14,19H,13H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide?
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 120831499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).