N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide

C18H17N3OS — CID 2380193

IUPACN-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3OS/c1-2-21(17(22)13-23-18-19-11-6-12-20-18)16-10-5-8-14-7-3-4-9-15(14)16/h3-12H,2,13H2,1H3
InChIKeyFORZQBORIVEUGZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.78
Rot. Bonds5

About N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide

N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2380193) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2380193
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCN(C(=O)CSc1ncccn1)c1cccc2ccccc12
InChIInChI=1S/C18H17N3OS/c1-2-21(17(22)13-23-18-19-11-6-12-20-18)16-10-5-8-14-7-3-4-9-15(14)16/h3-12H,2,13H2,1H3
InChIKeyFORZQBORIVEUGZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide (CID 2380193) is N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide is CCN(C(=O)CSc1ncccn1)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is FORZQBORIVEUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-21(17(22)13-23-18-19-11-6-12-20-18)16-10-5-8-14-7-3-4-9-15(14)16/h3-12H,2,13H2,1H3.
What are the key properties of N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide?
N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2380193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).