4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide

C25H28N2O3S2 — CID 126175134

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H28N2O3S2/c1-19-8-14-24(15-9-19)32(29,30)27(3)23-12-10-21(11-13-23)25(28)26-16-17-31-18-22-7-5-4-6-20(22)2/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyUOINGGDXFSXQMM-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.79
Rot. Bonds9

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide (PubChem CID 126175134) has the molecular formula C25H28N2O3S2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
PubChem CID126175134
Molecular FormulaC25H28N2O3S2
Molecular Weight468.64 g/mol
Exact Mass468.15
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccccc3C)cc2)cc1
InChIInChI=1S/C25H28N2O3S2/c1-19-8-14-24(15-9-19)32(29,30)27(3)23-12-10-21(11-13-23)25(28)26-16-17-31-18-22-7-5-4-6-20(22)2/h4-15H,16-18H2,1-3H3,(H,26,28)
InChIKeyUOINGGDXFSXQMM-UHFFFAOYSA-N
XLogP4.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.79
H-Bond Donors ≤ 51
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-benzylsulfanylethyl)-4-[(4-chlorophenyl)sulfonyl-methylamino]benzamide
CID 5025403
4-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196852
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033059
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 3512249
N-(3-aminobutyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119498678
N-[(2-methoxyphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1305730
N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664134
4-[benzenesulfonyl(methyl)amino]-N-(2-tert-butylsulfanylethyl)benzamide
CID 2290586
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]benzamide
CID 28591496
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115
N-[(2R)-2-(dimethylamino)-3-phenylpropyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 41378820

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide (CID 126175134) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCSCc3ccccc3C)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
The InChIKey is UOINGGDXFSXQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S2/c1-19-8-14-24(15-9-19)32(29,30)27(3)23-12-10-21(11-13-23)25(28)26-16-17-31-18-22-7-5-4-6-20(22)2/h4-15H,16-18H2,1-3H3,(H,26,28).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide has a molecular weight of 468.64 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]benzamide is sourced from PubChem (CID 126175134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).