2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide

C12H17NO2S — CID 60651157

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(OCC)cc1
InChIInChI=1S/C12H17NO2S/c1-3-13-12(14)9-16-11-7-5-10(6-8-11)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyRDTFLWXDWLJSHY-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide

2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide (PubChem CID 60651157) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
PubChem CID60651157
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(OCC)cc1
InChIInChI=1S/C12H17NO2S/c1-3-13-12(14)9-16-11-7-5-10(6-8-11)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyRDTFLWXDWLJSHY-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62674964
N-(2,3-dihydroxy-2-methylpropyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 66170023
N-(2-amino-2-ethylbutyl)-2-(4-ethoxyphenyl)sulfanylacetamide;hydrochloride
CID 119641427
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
2-(4-ethoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 85007833
(2S)-4-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]-2-hydroxybutanoic acid
CID 107834893
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 9401109
N-(4-ethoxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 60864053
2-(4-ethoxyphenyl)sulfanyl-N-(2-methoxyethoxy)acetamide
CID 79675642
2-(4-ethoxyphenyl)sulfanyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933406
2-[[2-(4-ethoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 43630659

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide (CID 60651157) is 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1ccc(OCC)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide?
The InChIKey is RDTFLWXDWLJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-13-12(14)9-16-11-7-5-10(6-8-11)15-4-2/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide?
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide has a molecular weight of 239.34 g/mol, XLogP of 2.31, 6 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-ethylacetamide is sourced from PubChem (CID 60651157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).