N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 2360188

IUPACN-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-2-17(11-6-4-3-5-7-11)13(19)10-20-14-15-9-8-12(18)16-14/h8-9,11H,2-7,10H2,1H3,(H,15,16,18)
InChIKeyAECUAQZOHMRSSW-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.04
Rot. Bonds5

About N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2360188) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2360188
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-2-17(11-6-4-3-5-7-11)13(19)10-20-14-15-9-8-12(18)16-14/h8-9,11H,2-7,10H2,1H3,(H,15,16,18)
InChIKeyAECUAQZOHMRSSW-UHFFFAOYSA-N
XLogP2.04
TPSA66.06 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2360188) is N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is AECUAQZOHMRSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-17(11-6-4-3-5-7-11)13(19)10-20-14-15-9-8-12(18)16-14/h8-9,11H,2-7,10H2,1H3,(H,15,16,18).
What are the key properties of N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2360188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).