N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide

C19H17N3O2S — CID 575555

IUPACN-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O2S/c23-18(12-25-13-19(24)22-17-7-3-4-10-20-17)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,21,23)(H,20,22,24)
InChIKeyZHCUJYBUWDFUDL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.55
Rot. Bonds6

About N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide

N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide (PubChem CID 575555) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide
PubChem CID575555
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC NameN-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccn1)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H17N3O2S/c23-18(12-25-13-19(24)22-17-7-3-4-10-20-17)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,21,23)(H,20,22,24)
InChIKeyZHCUJYBUWDFUDL-UHFFFAOYSA-N
XLogP3.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide (CID 575555) is N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccccn1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide?
The InChIKey is ZHCUJYBUWDFUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-18(12-25-13-19(24)22-17-7-3-4-10-20-17)21-16-9-8-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,21,23)(H,20,22,24).
What are the key properties of N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide?
N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide has a molecular weight of 351.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 575555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).