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

C25H28N2O4S — CID 46520973

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19(20-9-6-5-7-10-20)18-26-25(28)21-11-8-12-24(17-21)32(29,30)27(2)22-13-15-23(31-3)16-14-22/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyJNFFERZJUKPDSL-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.44
Rot. Bonds9

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

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide (PubChem CID 46520973) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
PubChem CID46520973
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
SMILESCCC(CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-4-19(20-9-6-5-7-10-20)18-26-25(28)21-11-8-12-24(17-21)32(29,30)27(2)22-13-15-23(31-3)16-14-22/h5-17,19H,4,18H2,1-3H3,(H,26,28)
InChIKeyJNFFERZJUKPDSL-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46538069
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide (CID 46520973) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide is CCC(CNC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1)c1ccccc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
The InChIKey is JNFFERZJUKPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-19(20-9-6-5-7-10-20)18-26-25(28)21-11-8-12-24(17-21)32(29,30)27(2)22-13-15-23(31-3)16-14-22/h5-17,19H,4,18H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide has a molecular weight of 452.58 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide is sourced from PubChem (CID 46520973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).