3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide

C25H26N2O4S — CID 55461953

IUPAC3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)cc1
InChIInChI=1S/C25H26N2O4S/c1-27(21-12-14-22(31-2)15-13-21)32(29,30)23-11-6-8-19(18-23)24(28)26-25(16-7-17-25)20-9-4-3-5-10-20/h3-6,8-15,18H,7,16-17H2,1-2H3,(H,26,28)
InChIKeySRUSJAMSWSAJLQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.33
Rot. Bonds7

About 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide (PubChem CID 55461953) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide
PubChem CID55461953
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC Name3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)cc1
InChIInChI=1S/C25H26N2O4S/c1-27(21-12-14-22(31-2)15-13-21)32(29,30)23-11-6-8-19(18-23)24(28)26-25(16-7-17-25)20-9-4-3-5-10-20/h3-6,8-15,18H,7,16-17H2,1-2H3,(H,26,28)
InChIKeySRUSJAMSWSAJLQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-methoxy-N-(1-phenylcyclobutyl)benzamide
CID 51273020
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[2-(N-methylanilino)propyl]benzamide
CID 55708466
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46520973
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081
N-(2,4-dimethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 2709362

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide?
The IUPAC name of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide (CID 55461953) is 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide?
The canonical SMILES for 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3(c4ccccc4)CCC3)c2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide?
The InChIKey is SRUSJAMSWSAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-27(21-12-14-22(31-2)15-13-21)32(29,30)23-11-6-8-19(18-23)24(28)26-25(16-7-17-25)20-9-4-3-5-10-20/h3-6,8-15,18H,7,16-17H2,1-2H3,(H,26,28).
What are the key properties of 3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide?
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylcyclobutyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.33, 7 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-(1-phenylcyclobutyl)benzamide is sourced from PubChem (CID 55461953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).