4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

C18H22N2O3S2 — CID 55909885

IUPAC4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCCSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-24-13-15-4-8-16(9-5-15)18(21)20-12-14-6-10-17(11-7-14)25(22,23)19-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyGJEXRYUYEJZXIL-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.78
Rot. Bonds8

About 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide

4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (PubChem CID 55909885) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
PubChem CID55909885
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
SMILESCCSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-24-13-15-4-8-16(9-5-15)18(21)20-12-14-6-10-17(11-7-14)25(22,23)19-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21)
InChIKeyGJEXRYUYEJZXIL-UHFFFAOYSA-N
XLogP2.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)sulfonyl-4-(ethylsulfanylmethyl)benzamide
CID 55975287
N-[[4-(methylsulfamoyl)phenyl]methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55587041
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-(methylsulfamoyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 26445094
2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55586968
4-(methylsulfamoyl)-N-nonylbenzamide
CID 46549901
N-(3-hydroxypropyl)-4-(methylsulfamoyl)benzamide
CID 78854970
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[(4-aminophenyl)methyl]-4-methylsulfonylbenzamide
CID 60892970
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide (CID 55909885) is 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is CCSCc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC)cc2)cc1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
The InChIKey is GJEXRYUYEJZXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-24-13-15-4-8-16(9-5-15)18(21)20-12-14-6-10-17(11-7-14)25(22,23)19-2/h4-11,19H,3,12-13H2,1-2H3,(H,20,21).
What are the key properties of 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide?
4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55909885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).