2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

C18H16FNO3S — CID 119101180

IUPAC2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16FNO3S/c19-15-5-3-13(4-6-15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-2-1-9-24-16/h1-9,11,22H,10,12H2,(H,20,21)
InChIKeyRQCMVZZJMKSGII-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide

2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (PubChem CID 119101180) has the molecular formula C18H16FNO3S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
PubChem CID119101180
Molecular FormulaC18H16FNO3S
Molecular Weight345.40 g/mol
Exact Mass345.08
IUPAC Name2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC(O)(c1ccoc1)c1cccs1
InChIInChI=1S/C18H16FNO3S/c19-15-5-3-13(4-6-15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-2-1-9-24-16/h1-9,11,22H,10,12H2,(H,20,21)
InChIKeyRQCMVZZJMKSGII-UHFFFAOYSA-N
XLogP3.08
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide (CID 119101180) is 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is O=C(Cc1ccc(F)cc1)NCC(O)(c1ccoc1)c1cccs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
The InChIKey is RQCMVZZJMKSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3S/c19-15-5-3-13(4-6-15)10-17(21)20-12-18(22,14-7-8-23-11-14)16-2-1-9-24-16/h1-9,11,22H,10,12H2,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide?
2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 119101180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).