N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide

C14H19NO3S — CID 115775503

IUPACN-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3S/c1-3-8-15(9-10-16)14(17)11-19-13-6-4-12(18-2)5-7-13/h3-7,16H,1,8-11H2,2H3
InChIKeyDYMTVQUNZJXLAU-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.79
Rot. Bonds8

About N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide

N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide (PubChem CID 115775503) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide
PubChem CID115775503
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide
SMILESC=CCN(CCO)C(=O)CSc1ccc(OC)cc1
InChIInChI=1S/C14H19NO3S/c1-3-8-15(9-10-16)14(17)11-19-13-6-4-12(18-2)5-7-13/h3-7,16H,1,8-11H2,2H3
InChIKeyDYMTVQUNZJXLAU-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-Methoxyphenyl)sulfanylethyl]-1-propyl-1,4-diazepan-5-one
CID 16060970
N-[2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 46935149
N-[(2R)-2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 49865205
N-[(2S)-2-(3-methoxyphenyl)sulfanylpropyl]acetamide
CID 49865206
N-[2-(3-methoxyphenyl)sulfanylethyl]acetamide
CID 49865265
N-(2-(4-methoxyphenylthio)ethyl)acetamide
CID 49865266
1-{2-Hydroxy-3-[(4-methoxyphenyl)sulfonyl]propyl}-2-pyrrolidinone
CID 5188274
(5S)-5-hydroxy-1-[2-(4-methoxyphenyl)sulfanylethyl]azepan-2-one
CID 42628520
Triethylamine, 2-((p-methoxyphenyl)thio)-, hydrochloride
CID 3066135
4-[2-(4-Methoxyphenyl)sulfanylethyl]-1-methyl-1,4-diazepan-5-one
CID 16060963
N-(2-methoxyethyl)-2-(4-methoxyphenyl)sulfonylpropanamide
CID 45826084
1-(4-Hydroxypiperidin-1-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 60492636

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide (CID 115775503) is N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide is C=CCN(CCO)C(=O)CSc1ccc(OC)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide?
The InChIKey is DYMTVQUNZJXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-8-15(9-10-16)14(17)11-19-13-6-4-12(18-2)5-7-13/h3-7,16H,1,8-11H2,2H3.
What are the key properties of N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide?
N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide has a molecular weight of 281.38 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 115775503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).