N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide

C17H19NO3S2 — CID 39862572

IUPACN-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-3-23(20,21)16-10-6-14(7-11-16)18-17(19)12-22-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyXGFMHIQCWWFCAQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.52
Rot. Bonds6

About N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 39862572) has the molecular formula C17H19NO3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID39862572
Molecular FormulaC17H19NO3S2
Molecular Weight349.48 g/mol
Exact Mass349.08
IUPAC NameN-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3S2/c1-3-23(20,21)16-10-6-14(7-11-16)18-17(19)12-22-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,18,19)
InChIKeyXGFMHIQCWWFCAQ-UHFFFAOYSA-N
XLogP3.52
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 161186563
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
2-(4-hydroxyphenyl)sulfanyl-N-(4-methylsulfonylphenyl)acetamide
CID 51099210
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 39862572) is N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide is CCS(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is XGFMHIQCWWFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S2/c1-3-23(20,21)16-10-6-14(7-11-16)18-17(19)12-22-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,18,19).
What are the key properties of N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 349.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 39862572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).