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

C15H16FNO3S — CID 121132778

IUPAC2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCC(O)c1ccoc1
InChIInChI=1S/C15H16FNO3S/c16-12-1-3-13(4-2-12)21-10-15(19)17-7-5-14(18)11-6-8-20-9-11/h1-4,6,8-9,14,18H,5,7,10H2,(H,17,19)
InChIKeyDLOPZECGFQDVNJ-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.75
Rot. Bonds7

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

2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide (PubChem CID 121132778) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
PubChem CID121132778
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide
SMILESO=C(CSc1ccc(F)cc1)NCCC(O)c1ccoc1
InChIInChI=1S/C15H16FNO3S/c16-12-1-3-13(4-2-12)21-10-15(19)17-7-5-14(18)11-6-8-20-9-11/h1-4,6,8-9,14,18H,5,7,10H2,(H,17,19)
InChIKeyDLOPZECGFQDVNJ-UHFFFAOYSA-N
XLogP2.75
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.75
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-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide (CID 121132778) is 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide is O=C(CSc1ccc(F)cc1)NCCC(O)c1ccoc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
The InChIKey is DLOPZECGFQDVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c16-12-1-3-13(4-2-12)21-10-15(19)17-7-5-14(18)11-6-8-20-9-11/h1-4,6,8-9,14,18H,5,7,10H2,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[3-(furan-3-yl)-3-hydroxypropyl]acetamide has a molecular weight of 309.36 g/mol, XLogP of 2.75, 7 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-[3-(furan-3-yl)-3-hydroxypropyl]acetamide is sourced from PubChem (CID 121132778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).