2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide

C19H23NO2S — CID 85007833

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-22-17-9-11-18(12-10-17)23-14-19(21)20-13-15(2)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyGAASWIHMGARVGT-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.10
Rot. Bonds8

About 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide (PubChem CID 85007833) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
PubChem CID85007833
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
SMILESCCOc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-3-22-17-9-11-18(12-10-17)23-14-19(21)20-13-15(2)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21)
InChIKeyGAASWIHMGARVGT-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
2-(3,4-dimethylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 8633805
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8550911
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
2-(4-ethoxyphenyl)sulfanyl-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32603483
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide (CID 85007833) is 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide is CCOc1ccc(SCC(=O)NCC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
The InChIKey is GAASWIHMGARVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-3-22-17-9-11-18(12-10-17)23-14-19(21)20-13-15(2)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide has a molecular weight of 329.47 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 85007833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).