2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

C14H14FNO3S — CID 95986628

IUPAC2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H14FNO3S/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18)/t13-/m1/s1
InChIKeyCPRYRGBZWYDUQB-CYBMUJFWSA-N
MW295.33 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (PubChem CID 95986628) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
PubChem CID95986628
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccoc1
InChIInChI=1S/C14H14FNO3S/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18)/t13-/m1/s1
InChIKeyCPRYRGBZWYDUQB-CYBMUJFWSA-N
XLogP2.36
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide (CID 95986628) is 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is O=C(CSc1ccc(F)cc1)NC[C@@H](O)c1ccoc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
The InChIKey is CPRYRGBZWYDUQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-11-1-3-12(4-2-11)20-9-14(18)16-7-13(17)10-5-6-19-8-10/h1-6,8,13,17H,7,9H2,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 95986628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).