N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide

C17H20N2O3S2 — CID 51219213

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-3-7-15(8-4-13)23-12-11-19-17(20)14-5-9-16(10-6-14)24(21,22)18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyFNEVLAAORAZTOM-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide

N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide (PubChem CID 51219213) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
PubChem CID51219213
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NCCSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-3-7-15(8-4-13)23-12-11-19-17(20)14-5-9-16(10-6-14)24(21,22)18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20)
InChIKeyFNEVLAAORAZTOM-UHFFFAOYSA-N
XLogP2.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.43
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-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 2972175
N-[2-(4-methylphenyl)sulfanylethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92675752
2-chloro-N-[2-(4-methylphenyl)sulfanylethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 28631759
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46475446
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 43920686
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
5-[[4-(methylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119234298
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(methylsulfamoyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 17443070

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide (CID 51219213) is N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(C(=O)NCCSc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide?
The InChIKey is FNEVLAAORAZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-3-7-15(8-4-13)23-12-11-19-17(20)14-5-9-16(10-6-14)24(21,22)18-2/h3-10,18H,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide?
N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide is sourced from PubChem (CID 51219213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).