3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

C24H26N2O5S — CID 55346054

IUPAC3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC
InChIInChI=1S/C24H26N2O5S/c1-4-30-22-15-8-18(16-23(22)31-5-2)24(27)25-19-9-11-20(12-10-19)26-32(28,29)21-13-6-17(3)7-14-21/h6-16,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyWBQNJYIDQZGORM-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.85
Rot. Bonds9

About 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide

3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (PubChem CID 55346054) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
PubChem CID55346054
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC
InChIInChI=1S/C24H26N2O5S/c1-4-30-22-15-8-18(16-23(22)31-5-2)24(27)25-19-9-11-20(12-10-19)26-32(28,29)21-13-6-17(3)7-14-21/h6-16,26H,4-5H2,1-3H3,(H,25,27)
InChIKeyWBQNJYIDQZGORM-UHFFFAOYSA-N
XLogP4.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389
N-[4-(acetylsulfamoyl)phenyl]-3,4-diethoxybenzamide
CID 3487995
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
3,4-diethoxy-N-[4-(3-ethoxypropylsulfamoyl)phenyl]benzamide
CID 2976044
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
2-ethoxy-5-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 56808508
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
4-(difluoromethoxy)-3-ethoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219582
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide (CID 55346054) is 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
The InChIKey is WBQNJYIDQZGORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-30-22-15-8-18(16-23(22)31-5-2)24(27)25-19-9-11-20(12-10-19)26-32(28,29)21-13-6-17(3)7-14-21/h6-16,26H,4-5H2,1-3H3,(H,25,27).
What are the key properties of 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide?
3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide has a molecular weight of 454.55 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide is sourced from PubChem (CID 55346054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).