N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide

C17H19NO4S2 — CID 47091982

IUPACN-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H19NO4S2/c1-24(20,21)11-10-22-15-7-5-6-14(12-15)18-17(19)13-23-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,18,19)
InChIKeyXQHNOBVPTQYZKR-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.84
Rot. Bonds8

About N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide

N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide (PubChem CID 47091982) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide
PubChem CID47091982
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC NameN-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide
SMILESCS(=O)(=O)CCOc1cccc(NC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H19NO4S2/c1-24(20,21)11-10-22-15-7-5-6-14(12-15)18-17(19)13-23-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,18,19)
InChIKeyXQHNOBVPTQYZKR-UHFFFAOYSA-N
XLogP2.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616101
3-(2-aminophenyl)-N-[3-(2-methylsulfonylethoxy)phenyl]propanamide;hydrochloride
CID 120610173
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
2-amino-3-methyl-N-[3-(2-methylsulfonylethoxy)phenyl]pentanamide
CID 119763991
(7R)-N-[3-(2-methylsulfonylethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95633379
N-[3-(tert-butylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 9107906
1-[1-(2-methylphenyl)ethyl]-3-[3-(2-methylsulfonylethoxy)phenyl]urea
CID 60616401
1-[3-(2-methylsulfonylethoxy)phenyl]ethanone
CID 60917043
N-[3-[2-(2-methylanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 18905634
2-(3-aminophenyl)sulfanyl-N-phenylacetamide
CID 18894236
N-[4-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 22778580

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide (CID 47091982) is N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide is CS(=O)(=O)CCOc1cccc(NC(=O)CSc2ccccc2)c1.
What is the InChIKey of N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is XQHNOBVPTQYZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-24(20,21)11-10-22-15-7-5-6-14(12-15)18-17(19)13-23-16-8-3-2-4-9-16/h2-9,12H,10-11,13H2,1H3,(H,18,19).
What are the key properties of N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide?
N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 365.48 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylsulfonylethoxy)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 47091982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).