2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide

C17H25FN4O3S — CID 91626409

IUPAC2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(C)=O)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H25FN4O3S/c1-11(23)21-15(7-8-26-2)16(24)22-13-3-5-14(6-4-13)25-17-19-9-12(18)10-20-17/h9-10,13-15H,3-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJKJBLHHNJSUBY-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.68
Rot. Bonds8

About 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide

2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide (PubChem CID 91626409) has the molecular formula C17H25FN4O3S and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide
PubChem CID91626409
Molecular FormulaC17H25FN4O3S
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(C)=O)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H25FN4O3S/c1-11(23)21-15(7-8-26-2)16(24)22-13-3-5-14(6-4-13)25-17-19-9-12(18)10-20-17/h9-10,13-15H,3-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKJKJBLHHNJSUBY-UHFFFAOYSA-N
XLogP1.68
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide (CID 91626409) is 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide is CSCCC(NC(C)=O)C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide?
The InChIKey is KJKJBLHHNJSUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O3S/c1-11(23)21-15(7-8-26-2)16(24)22-13-3-5-14(6-4-13)25-17-19-9-12(18)10-20-17/h9-10,13-15H,3-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide?
2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide has a molecular weight of 384.48 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 91626409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).