[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate

C17H17NO5S2 — CID 8947661

IUPAC[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCS(=O)(=O)c1cccc(NC(=O)COC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H17NO5S2/c1-25(21,22)15-9-5-6-13(10-15)18-16(19)11-23-17(20)12-24-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeySGFPCOCVJIPEOS-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.36
Rot. Bonds7

About [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate

[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (PubChem CID 8947661) has the molecular formula C17H17NO5S2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
PubChem CID8947661
Molecular FormulaC17H17NO5S2
Molecular Weight379.46 g/mol
Exact Mass379.05
IUPAC Name[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
SMILESCS(=O)(=O)c1cccc(NC(=O)COC(=O)CSc2ccccc2)c1
InChIInChI=1S/C17H17NO5S2/c1-25(21,22)15-9-5-6-13(10-15)18-16(19)11-23-17(20)12-24-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19)
InChIKeySGFPCOCVJIPEOS-UHFFFAOYSA-N
XLogP2.36
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 26747038
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 8957355
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 7995999
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 8741259
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8547908
[2-(3-methylsulfonylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8980932
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 8982597
[2-(3-methylsulfonylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8955982
N-(3-methylsulfonylphenyl)-2-(4-phenylphenoxy)acetamide
CID 9137794
[2-(3-acetamidoanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 8821487
[2-(4-ethoxyanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616661

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The IUPAC name of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate (CID 8947661) is [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate.
What is the SMILES notation for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The canonical SMILES for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is CS(=O)(=O)c1cccc(NC(=O)COC(=O)CSc2ccccc2)c1.
What is the InChIKey of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
The InChIKey is SGFPCOCVJIPEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S2/c1-25(21,22)15-9-5-6-13(10-15)18-16(19)11-23-17(20)12-24-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,18,19).
What are the key properties of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate?
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate has a molecular weight of 379.46 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-phenylsulfanylacetate is sourced from PubChem (CID 8947661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).