N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

C24H32N2O3S2 — CID 3920439

IUPACN-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)cc1C
InChIInChI=1S/C24H32N2O3S2/c1-17-10-12-21(15-19(17)3)26-31(28,29)23-16-20(11-9-18(23)2)24(27)25-13-14-30-22-7-5-4-6-8-22/h9-12,15-16,22,26H,4-8,13-14H2,1-3H3,(H,25,27)
InChIKeyDKNACXZXTSVLID-UHFFFAOYSA-N
MW460.67 g/mol
LogP5.21
Rot. Bonds8

About N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide

N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 3920439) has the molecular formula C24H32N2O3S2 and a molecular weight of 460.67 g/mol. Its IUPAC name is N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID3920439
Molecular FormulaC24H32N2O3S2
Molecular Weight460.67 g/mol
Exact Mass460.19
IUPAC NameN-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)cc1C
InChIInChI=1S/C24H32N2O3S2/c1-17-10-12-21(15-19(17)3)26-31(28,29)23-16-20(11-9-18(23)2)24(27)25-13-14-30-22-7-5-4-6-8-22/h9-12,15-16,22,26H,4-8,13-14H2,1-3H3,(H,25,27)
InChIKeyDKNACXZXTSVLID-UHFFFAOYSA-N
XLogP5.21
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 55.21
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

N-(2-cyclohexylsulfanylethyl)-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4686670
N-(2-cyclopentylsulfanylethyl)-4-methyl-3-methylsulfonylbenzamide
CID 47047129
4-chloro-N-(2-cyclopentylsulfanylethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 100578773
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99971355
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 126414743
N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
5-(benzenesulfonamido)-2-chloro-N-(2-cyclohexylsulfanylethyl)benzamide
CID 38014027
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
N-(2-cyclopentylsulfanylethyl)-2-(3,4-dimethylphenyl)acetamide
CID 100660183
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide (CID 3920439) is N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCSC3CCCCC3)ccc2C)cc1C.
What is the InChIKey of N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is DKNACXZXTSVLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S2/c1-17-10-12-21(15-19(17)3)26-31(28,29)23-16-20(11-9-18(23)2)24(27)25-13-14-30-22-7-5-4-6-8-22/h9-12,15-16,22,26H,4-8,13-14H2,1-3H3,(H,25,27).
What are the key properties of N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide?
N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 460.67 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylsulfanylethyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 3920439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).