2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

C25H27N3O5S — CID 4651552

IUPAC2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyIIXGKHJNBVQJAR-UHFFFAOYSA-N
MW481.57 g/mol
LogP4.23
Rot. Bonds9

About 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 4651552) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID4651552
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1
InChIInChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyIIXGKHJNBVQJAR-UHFFFAOYSA-N
XLogP4.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide (CID 4651552) is 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(OC)cc2)c1.
What is the InChIKey of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is IIXGKHJNBVQJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-4-28(5-2)34(31,32)21-10-8-9-18(17-21)24(29)27-23-12-7-6-11-22(23)25(30)26-19-13-15-20(33-3)16-14-19/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 481.57 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylsulfamoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 4651552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).