3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide

C23H24N2O3S2 — CID 2237130

IUPAC3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H24N2O3S2/c1-15-9-10-16(2)20(13-15)25-30(27,28)22-14-18(12-11-17(22)3)23(26)24-19-7-5-6-8-21(19)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyLSJRKUZFVFSKLD-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.39
Rot. Bonds6

About 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide

3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 2237130) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID2237130
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C23H24N2O3S2/c1-15-9-10-16(2)20(13-15)25-30(27,28)22-14-18(12-11-17(22)3)23(26)24-19-7-5-6-8-21(19)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyLSJRKUZFVFSKLD-UHFFFAOYSA-N
XLogP5.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
N-(2,3-dichlorophenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126412486
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-fluorophenyl)-4-methylbenzamide
CID 126412201
N-(4-chloro-2-methylphenyl)-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3361806
N-(2-chlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126385388
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
3-[(2,5-dimethylphenyl)sulfamoyl]-N-ethyl-4-methylbenzamide
CID 961911
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 126415438
3-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 30377748
4-methyl-3-[(4-methylphenyl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 126411653

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide (CID 2237130) is 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is LSJRKUZFVFSKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-15-9-10-16(2)20(13-15)25-30(27,28)22-14-18(12-11-17(22)3)23(26)24-19-7-5-6-8-21(19)29-4/h5-14,25H,1-4H3,(H,24,26).
What are the key properties of 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide?
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 2237130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).