N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 135546304

IUPACN-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(=O)NC2CCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2S/c1-3-11-9(2)15-14(17-13(11)19)20-8-12(18)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyOQIABAIUOTVPAG-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.79
Rot. Bonds5

About N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135546304) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135546304
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCc1c(C)nc(SCC(=O)NC2CCCC2)[nH]c1=O
InChIInChI=1S/C14H21N3O2S/c1-3-11-9(2)15-14(17-13(11)19)20-8-12(18)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,18)(H,15,17,19)
InChIKeyOQIABAIUOTVPAG-UHFFFAOYSA-N
XLogP1.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135546304) is N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCc1c(C)nc(SCC(=O)NC2CCCC2)[nH]c1=O.
What is the InChIKey of N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is OQIABAIUOTVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-11-9(2)15-14(17-13(11)19)20-8-12(18)16-10-6-4-5-7-10/h10H,3-8H2,1-2H3,(H,16,18)(H,15,17,19).
What are the key properties of N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135546304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).