3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C23H24N2O4S2 — CID 55394039

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)30-15-14-24-23(26)18-6-5-7-20(16-18)31(27,28)25-21-8-3-4-9-22(21)29-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeySEOJZOTVTBAGDP-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.33
Rot. Bonds9

About 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 55394039) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID55394039
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(C)cc2)c1
InChIInChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)30-15-14-24-23(26)18-6-5-7-20(16-18)31(27,28)25-21-8-3-4-9-22(21)29-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26)
InChIKeySEOJZOTVTBAGDP-UHFFFAOYSA-N
XLogP4.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 17484047
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
3-[(2,5-dimethoxyphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063687
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 137353894
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
3-[(2-methoxyphenyl)sulfamoyl]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55720773
3-[(2-ethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109063665

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 55394039) is 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCCSc2ccc(C)cc2)c1.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is SEOJZOTVTBAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17-10-12-19(13-11-17)30-15-14-24-23(26)18-6-5-7-20(16-18)31(27,28)25-21-8-3-4-9-22(21)29-2/h3-13,16,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 456.59 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 55394039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).