2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide

C19H24N2O3S2 — CID 17466562

IUPAC2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O3S2/c1-14-8-9-18(10-15(14)2)25-12-19(22)21-11-16-6-4-5-7-17(16)13-26(23,24)20-3/h4-10,20H,11-13H2,1-3H3,(H,21,22)
InChIKeyFEQMAMGMKANHOI-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.76
Rot. Bonds8

About 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide

2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 17466562) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID17466562
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)CSc1ccc(C)c(C)c1
InChIInChI=1S/C19H24N2O3S2/c1-14-8-9-18(10-15(14)2)25-12-19(22)21-11-16-6-4-5-7-17(16)13-26(23,24)20-3/h4-10,20H,11-13H2,1-3H3,(H,21,22)
InChIKeyFEQMAMGMKANHOI-UHFFFAOYSA-N
XLogP2.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17408196
3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481393
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
2-(3,4-dimethylphenyl)sulfanyl-N-prop-2-ynylacetamide
CID 26579620
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24644501
2-(3,4-dimethylphenyl)sulfanyl-N-(2-phenoxyethyl)acetamide
CID 26579562
(E)-3-(3-chloro-4-methylphenyl)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 34535820
N'-[2-(3,4-dimethylphenyl)sulfanylacetyl]benzohydrazide
CID 2708508
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46587644
N-(2-chlorophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2708525
2-(4-tert-butylphenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55711321

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide (CID 17466562) is 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)CSc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is FEQMAMGMKANHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-8-9-18(10-15(14)2)25-12-19(22)21-11-16-6-4-5-7-17(16)13-26(23,24)20-3/h4-10,20H,11-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 392.55 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 17466562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).