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

C23H24N2O3S2 — CID 126337845

IUPAC2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-18-12-14-20(15-13-18)30(27,28)25(2)22-11-7-6-10-21(22)23(26)24-16-17-29-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyOLLCHWDLLDBBJH-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.34
Rot. Bonds8

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

2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 126337845) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide
PubChem CID126337845
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC Name2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-18-12-14-20(15-13-18)30(27,28)25(2)22-11-7-6-10-21(22)23(26)24-16-17-29-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyOLLCHWDLLDBBJH-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.34
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

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509
5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 31444413
N,N-dimethyl-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 27055363
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 51343907
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide
CID 4694822
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
CID 92674839
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126337837
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682909
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 100756077
2-hydroxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887658

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide (CID 126337845) is 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is OLLCHWDLLDBBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-18-12-14-20(15-13-18)30(27,28)25(2)22-11-7-6-10-21(22)23(26)24-16-17-29-19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide?
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 126337845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).