N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide

C16H17NO2S — CID 879968

IUPACN-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-2-19-15-11-7-6-10-14(15)17-16(18)12-20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyGXMPDQJWFMVRCH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.82
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide

N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 879968) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
PubChem CID879968
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C16H17NO2S/c1-2-19-15-11-7-6-10-14(15)17-16(18)12-20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18)
InChIKeyGXMPDQJWFMVRCH-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide (CID 879968) is N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide is CCOc1ccccc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is GXMPDQJWFMVRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-2-19-15-11-7-6-10-14(15)17-16(18)12-20-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide?
N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 287.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 879968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).