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

C26H22N2O2S — CID 1039689

IUPACN-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O2S/c29-25(27-22-15-14-19-8-4-5-11-21(19)16-22)17-31-18-26(30)28-24-13-7-6-12-23(24)20-9-2-1-3-10-20/h1-16H,17-18H2,(H,27,29)(H,28,30)
InChIKeyAPYPPSHSCGGWHC-UHFFFAOYSA-N
MW426.54 g/mol
LogP5.82
Rot. Bonds7

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

N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide (PubChem CID 1039689) has the molecular formula C26H22N2O2S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide
PubChem CID1039689
Molecular FormulaC26H22N2O2S
Molecular Weight426.54 g/mol
Exact Mass426.14
IUPAC NameN-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O2S/c29-25(27-22-15-14-19-8-4-5-11-21(19)16-22)17-31-18-26(30)28-24-13-7-6-12-23(24)20-9-2-1-3-10-20/h1-16H,17-18H2,(H,27,29)(H,28,30)
InChIKeyAPYPPSHSCGGWHC-UHFFFAOYSA-N
XLogP5.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide (CID 1039689) is N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide?
The InChIKey is APYPPSHSCGGWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2S/c29-25(27-22-15-14-19-8-4-5-11-21(19)16-22)17-31-18-26(30)28-24-13-7-6-12-23(24)20-9-2-1-3-10-20/h1-16H,17-18H2,(H,27,29)(H,28,30).
What are the key properties of N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide?
N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide has a molecular weight of 426.54 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfanylacetamide is sourced from PubChem (CID 1039689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).