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

C23H24N2O3S2 — CID 126415688

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C23H24N2O3S2/c1-15-9-11-20(12-17(15)3)25-30(27,28)22-13-18(10-8-16(22)2)23(26)24-19-6-5-7-21(14-19)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyGOYKGALNGIOAAV-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.39
Rot. Bonds6

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

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 126415688) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
PubChem CID126415688
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1
InChIInChI=1S/C23H24N2O3S2/c1-15-9-11-20(12-17(15)3)25-30(27,28)22-13-18(10-8-16(22)2)23(26)24-19-6-5-7-21(14-19)29-4/h5-14,25H,1-4H3,(H,24,26)
InChIKeyGOYKGALNGIOAAV-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

Analyze 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
4-methoxy-N-(3-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 45373523
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide (CID 126415688) is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GOYKGALNGIOAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-15-9-11-20(12-17(15)3)25-30(27,28)22-13-18(10-8-16(22)2)23(26)24-19-6-5-7-21(14-19)29-4/h5-14,25H,1-4H3,(H,24,26).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-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-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 126415688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).