N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide

C17H14N2OS — CID 2103808

IUPACN-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c20-17(12-21-16-7-9-18-10-8-16)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,19,20)
InChIKeyKCXWIWRYZDOMKP-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds4

About N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide

N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide (PubChem CID 2103808) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide
PubChem CID2103808
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H14N2OS/c20-17(12-21-16-7-9-18-10-8-16)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,19,20)
InChIKeyKCXWIWRYZDOMKP-UHFFFAOYSA-N
XLogP3.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide (CID 2103808) is N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is KCXWIWRYZDOMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(12-21-16-7-9-18-10-8-16)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-11H,12H2,(H,19,20).
What are the key properties of N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide?
N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 294.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 2103808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).