5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

C26H29N3O4S — CID 34543324

IUPAC5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-4-29(5-2)26(31)21-12-14-22(15-13-21)28-25(30)24-17-23(16-11-19(24)3)34(32,33)27-18-20-9-7-6-8-10-20/h6-17,27H,4-5,18H2,1-3H3,(H,28,30)
InChIKeyXXGPQRBVKIXGBA-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.21
Rot. Bonds9

About 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide

5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (PubChem CID 34543324) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
PubChem CID34543324
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)cc1
InChIInChI=1S/C26H29N3O4S/c1-4-29(5-2)26(31)21-12-14-22(15-13-21)28-25(30)24-17-23(16-11-19(24)3)34(32,33)27-18-20-9-7-6-8-10-20/h6-17,27H,4-5,18H2,1-3H3,(H,28,30)
InChIKeyXXGPQRBVKIXGBA-UHFFFAOYSA-N
XLogP4.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide (CID 34543324) is 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2C)cc1.
What is the InChIKey of 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
The InChIKey is XXGPQRBVKIXGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-4-29(5-2)26(31)21-12-14-22(15-13-21)28-25(30)24-17-23(16-11-19(24)3)34(32,33)27-18-20-9-7-6-8-10-20/h6-17,27H,4-5,18H2,1-3H3,(H,28,30).
What are the key properties of 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide?
5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide has a molecular weight of 479.60 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-N-[4-(diethylcarbamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 34543324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).