3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide

C25H29N3O4S — CID 55708466

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(27(2)21-10-6-5-7-11-21)18-26-25(29)20-9-8-12-24(17-20)33(30,31)28(3)22-13-15-23(32-4)16-14-22/h5-17,19H,18H2,1-4H3,(H,26,29)
InChIKeyZPZZEJIDMRIOBG-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.78
Rot. Bonds9

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide (PubChem CID 55708466) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
PubChem CID55708466
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C25H29N3O4S/c1-19(27(2)21-10-6-5-7-11-21)18-26-25(29)20-9-8-12-24(17-20)33(30,31)28(3)22-13-15-23(32-4)16-14-22/h5-17,19H,18H2,1-4H3,(H,26,29)
InChIKeyZPZZEJIDMRIOBG-UHFFFAOYSA-N
XLogP3.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
3-[methyl(phenyl)sulfamoyl]-N-[2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 4230999
3-[methyl(phenyl)sulfamoyl]-N-[(2R)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propyl]benzamide
CID 92853144
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
N-[(2,5-dimethoxyphenyl)methyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 92844931

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide (CID 55708466) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCC(C)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide?
The InChIKey is ZPZZEJIDMRIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-19(27(2)21-10-6-5-7-11-21)18-26-25(29)20-9-8-12-24(17-20)33(30,31)28(3)22-13-15-23(32-4)16-14-22/h5-17,19H,18H2,1-4H3,(H,26,29).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide has a molecular weight of 467.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 55708466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).