N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H27N3O2S — CID 135488684

IUPACN-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-2-8-14-11-15(21)20-17(19-14)23-12-16(22)18-13-9-6-4-3-5-7-10-13/h11,13H,2-10,12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKJRZIBXWOVUDJA-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.04
Rot. Bonds6

About N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135488684) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135488684
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-2-8-14-11-15(21)20-17(19-14)23-12-16(22)18-13-9-6-4-3-5-7-10-13/h11,13H,2-10,12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyKJRZIBXWOVUDJA-UHFFFAOYSA-N
XLogP3.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135488684) is N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1.
What is the InChIKey of N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KJRZIBXWOVUDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-2-8-14-11-15(21)20-17(19-14)23-12-16(22)18-13-9-6-4-3-5-7-10-13/h11,13H,2-10,12H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135488684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).