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

C14H21N3O2S — CID 135491354

IUPACN-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-9(2)11-7-12(18)17-14(16-11)20-8-13(19)15-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyJORWWYJWUWGHSD-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.04
Rot. Bonds5

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

N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135491354) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135491354
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC(C)c1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-9(2)11-7-12(18)17-14(16-11)20-8-13(19)15-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyJORWWYJWUWGHSD-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135491354) is N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC(C)c1cc(=O)[nH]c(SCC(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JORWWYJWUWGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)11-7-12(18)17-14(16-11)20-8-13(19)15-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135491354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).