2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide

C17H24FN3O2S — CID 90634120

IUPAC2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(CSC1CCCC1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN3O2S/c18-12-9-19-17(20-10-12)23-14-7-5-13(6-8-14)21-16(22)11-24-15-3-1-2-4-15/h9-10,13-15H,1-8,11H2,(H,21,22)
InChIKeyAFAFWPXOTBLWLH-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.10
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide

2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90634120) has the molecular formula C17H24FN3O2S and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90634120
Molecular FormulaC17H24FN3O2S
Molecular Weight353.46 g/mol
Exact Mass353.16
IUPAC Name2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESO=C(CSC1CCCC1)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H24FN3O2S/c18-12-9-19-17(20-10-12)23-14-7-5-13(6-8-14)21-16(22)11-24-15-3-1-2-4-15/h9-10,13-15H,1-8,11H2,(H,21,22)
InChIKeyAFAFWPXOTBLWLH-UHFFFAOYSA-N
XLogP3.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90634120) is 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is O=C(CSC1CCCC1)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is AFAFWPXOTBLWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S/c18-12-9-19-17(20-10-12)23-14-7-5-13(6-8-14)21-16(22)11-24-15-3-1-2-4-15/h9-10,13-15H,1-8,11H2,(H,21,22).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide?
2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 353.46 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90634120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).