4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide

C23H24N2O3S2 — CID 60574259

IUPAC4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-16-5-4-6-22(17(16)2)25-30(27,28)21-13-9-19(10-14-21)23(26)24-15-18-7-11-20(29-3)12-8-18/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyILKCDMFSIHXXDQ-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.76
Rot. Bonds7

About 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide

4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 60574259) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID60574259
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-16-5-4-6-22(17(16)2)25-30(27,28)21-13-9-19(10-14-21)23(26)24-15-18-7-11-20(29-3)12-8-18/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyILKCDMFSIHXXDQ-UHFFFAOYSA-N
XLogP4.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]methyl]benzoate
CID 55348950
N-butyl-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 9414249
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 26447459
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 55523190
N-[2-(dimethylamino)ethyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 109060082
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]ethyl-diethylazanium
CID 9315050
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[2-(N-methylanilino)ethyl]benzamide
CID 27040602
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide
CID 27032355

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 60574259) is 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is ILKCDMFSIHXXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-16-5-4-6-22(17(16)2)25-30(27,28)21-13-9-19(10-14-21)23(26)24-15-18-7-11-20(29-3)12-8-18/h4-14,25H,15H2,1-3H3,(H,24,26).
What are the key properties of 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 60574259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).