3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

C26H30N2O3S2 — CID 3949074

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-18-8-11-22(12-9-18)17-32-15-14-27-26(29)23-13-10-20(3)25(16-23)33(30,31)28-24-7-5-6-19(2)21(24)4/h5-13,16,28H,14-15,17H2,1-4H3,(H,27,29)
InChIKeyKAEFEFDWFNXBMA-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.38
Rot. Bonds9

About 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 3949074) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID3949074
Molecular FormulaC26H30N2O3S2
Molecular Weight482.67 g/mol
Exact Mass482.17
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-18-8-11-22(12-9-18)17-32-15-14-27-26(29)23-13-10-20(3)25(16-23)33(30,31)28-24-7-5-6-19(2)21(24)4/h5-13,16,28H,14-15,17H2,1-4H3,(H,27,29)
InChIKeyKAEFEFDWFNXBMA-UHFFFAOYSA-N
XLogP5.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]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

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415670
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3469955
N-(2-benzylsulfanylethyl)-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4285885
N-(2-cyclohexylsulfanylethyl)-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4686670
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100565123
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43908652
3-(ethylsulfamoyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 32964878
3-[(2,3-dimethylphenyl)sulfamoyl]-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 2232377
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-ethoxyphenyl)methyl]-4-methylbenzamide
CID 92675351
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 1250809

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 3949074) is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is KAEFEFDWFNXBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-18-8-11-22(12-9-18)17-32-15-14-27-26(29)23-13-10-20(3)25(16-23)33(30,31)28-24-7-5-6-19(2)21(24)4/h5-13,16,28H,14-15,17H2,1-4H3,(H,27,29).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 482.67 g/mol, XLogP of 5.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 3949074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).