2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

C17H20FN3O2S — CID 90622209

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C17H20FN3O2S/c18-14-1-3-16(4-2-14)24-12-17(22)20-15-9-19-21(11-15)10-13-5-7-23-8-6-13/h1-4,9,11,13H,5-8,10,12H2,(H,20,22)
InChIKeyVIDAFOMJRADOJX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.18
Rot. Bonds6

About 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (PubChem CID 90622209) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
PubChem CID90622209
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C17H20FN3O2S/c18-14-1-3-16(4-2-14)24-12-17(22)20-15-9-19-21(11-15)10-13-5-7-23-8-6-13/h1-4,9,11,13H,5-8,10,12H2,(H,20,22)
InChIKeyVIDAFOMJRADOJX-UHFFFAOYSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide (CID 90622209) is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is O=C(CSc1ccc(F)cc1)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
The InChIKey is VIDAFOMJRADOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c18-14-1-3-16(4-2-14)24-12-17(22)20-15-9-19-21(11-15)10-13-5-7-23-8-6-13/h1-4,9,11,13H,5-8,10,12H2,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 90622209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).