2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide

C15H16FNO2S — CID 47168861

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide
SMILESCC(Cc1ccco1)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-11(9-13-3-2-8-19-13)17-15(18)10-20-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyJQVYTTNBSWSWKG-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 47168861) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide
PubChem CID47168861
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide
SMILESCC(Cc1ccco1)NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H16FNO2S/c1-11(9-13-3-2-8-19-13)17-15(18)10-20-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKeyJQVYTTNBSWSWKG-UHFFFAOYSA-N
XLogP3.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide (CID 47168861) is 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide is CC(Cc1ccco1)NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is JQVYTTNBSWSWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11(9-13-3-2-8-19-13)17-15(18)10-20-14-6-4-12(16)5-7-14/h2-8,11H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 47168861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).