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

C26H30N2O3S2 — CID 126414743

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-18-5-9-22(10-6-18)17-32-14-13-27-26(29)23-11-7-20(3)25(16-23)33(30,31)28-24-12-8-19(2)21(4)15-24/h5-12,15-16,28H,13-14,17H2,1-4H3,(H,27,29)
InChIKeyWMEMEUIRRVZASZ-UHFFFAOYSA-N
MW482.67 g/mol
LogP5.38
Rot. Bonds9

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

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 126414743) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID126414743
Molecular FormulaC26H30N2O3S2
Molecular Weight482.67 g/mol
Exact Mass482.17
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1
InChIInChI=1S/C26H30N2O3S2/c1-18-5-9-22(10-6-18)17-32-14-13-27-26(29)23-11-7-20(3)25(16-23)33(30,31)28-24-12-8-19(2)21(4)15-24/h5-12,15-16,28H,13-14,17H2,1-4H3,(H,27,29)
InChIKeyWMEMEUIRRVZASZ-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'}

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3949074
N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3469955
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3920439
N-(3-methoxypropyl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 17477589
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[1-(4-methylphenyl)propyl]benzamide
CID 132612837
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 99949025
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-methylbenzamide
CID 7582460
N-(2-benzylsulfanylethyl)-4-chloro-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4285885
4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
3-chloro-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43908652

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 126414743) is 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1ccc(CSCCNC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is WMEMEUIRRVZASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-18-5-9-22(10-6-18)17-32-14-13-27-26(29)23-11-7-20(3)25(16-23)33(30,31)28-24-12-8-19(2)21(4)15-24/h5-12,15-16,28H,13-14,17H2,1-4H3,(H,27,29).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide?
3-[(3,4-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-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 126414743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).