N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

C23H24N2O6S2 — CID 55844976

IUPACN-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-17-8-13-21(33(29,30)25-18-9-11-19(31-2)12-10-18)16-22(17)23(26)24-14-15-32(27,28)20-6-4-3-5-7-20/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyJFSBTYYFOUHSTH-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.01
Rot. Bonds9

About N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide

N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (PubChem CID 55844976) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
PubChem CID55844976
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H24N2O6S2/c1-17-8-13-21(33(29,30)25-18-9-11-19(31-2)12-10-18)16-22(17)23(26)24-14-15-32(27,28)20-6-4-3-5-7-20/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyJFSBTYYFOUHSTH-UHFFFAOYSA-N
XLogP3.01
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 25396261
5-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 2518189
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
N-[3-(2-methoxyethoxy)propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55407924
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55869875
N-(3-methoxy-2-methylpropyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 47080226
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(3-methylphenyl)benzamide
CID 9341864
N-[(2S)-1-aminopropan-2-yl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 120505929
N-(2,5-dimethylphenyl)-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 29169048
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 25342331

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide (CID 55844976) is N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCCS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
The InChIKey is JFSBTYYFOUHSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-17-8-13-21(33(29,30)25-18-9-11-19(31-2)12-10-18)16-22(17)23(26)24-14-15-32(27,28)20-6-4-3-5-7-20/h3-13,16,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide?
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide has a molecular weight of 488.59 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide is sourced from PubChem (CID 55844976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).