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

C18H17N3O2S — CID 4193238

IUPACN-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nccc(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-2-21(15-9-5-7-13-6-3-4-8-14(13)15)17(23)12-24-18-19-11-10-16(22)20-18/h3-11H,2,12H2,1H3,(H,19,20,22)
InChIKeyJATDJMCNTKTWDL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.07
Rot. Bonds5

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

N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 4193238) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID4193238
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nccc(=O)[nH]1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3O2S/c1-2-21(15-9-5-7-13-6-3-4-8-14(13)15)17(23)12-24-18-19-11-10-16(22)20-18/h3-11H,2,12H2,1H3,(H,19,20,22)
InChIKeyJATDJMCNTKTWDL-UHFFFAOYSA-N
XLogP3.07
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 4193238) is N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nccc(=O)[nH]1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is JATDJMCNTKTWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-21(15-9-5-7-13-6-3-4-8-14(13)15)17(23)12-24-18-19-11-10-16(22)20-18/h3-11H,2,12H2,1H3,(H,19,20,22).
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 4193238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).