2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

C20H25NO4S — CID 86840515

IUPAC2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(SCC(=O)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C20H25NO4S/c1-2-23-16-7-9-19(10-8-16)26-15-20(22)21(13-17-5-3-11-24-17)14-18-6-4-12-25-18/h3,5,7-11,18H,2,4,6,12-15H2,1H3
InChIKeySKMRYDANZBJKRZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.98
Rot. Bonds9

About 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide

2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 86840515) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID86840515
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCOc1ccc(SCC(=O)N(Cc2ccco2)CC2CCCO2)cc1
InChIInChI=1S/C20H25NO4S/c1-2-23-16-7-9-19(10-8-16)26-15-20(22)21(13-17-5-3-11-24-17)14-18-6-4-12-25-18/h3,5,7-11,18H,2,4,6,12-15H2,1H3
InChIKeySKMRYDANZBJKRZ-UHFFFAOYSA-N
XLogP3.98
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
2-[butyl-[2-(4-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 42773375
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 772636
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
(1R,5S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97236897
N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3495041

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide (CID 86840515) is 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is CCOc1ccc(SCC(=O)N(Cc2ccco2)CC2CCCO2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SKMRYDANZBJKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-2-23-16-7-9-19(10-8-16)26-15-20(22)21(13-17-5-3-11-24-17)14-18-6-4-12-25-18/h3,5,7-11,18H,2,4,6,12-15H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide?
2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 86840515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).