N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide

C21H20N2O2S — CID 588601

IUPACN-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C21H20N2O2S/c24-20(22-13-16-6-2-1-3-7-16)14-26-15-21(25)23-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,24)(H,23,25)
InChIKeyLLOIYKCRRGYMMK-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.83
Rot. Bonds7

About N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide

N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 588601) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID588601
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide
SMILESO=C(CSCC(=O)Nc1ccc2ccccc2c1)NCc1ccccc1
InChIInChI=1S/C21H20N2O2S/c24-20(22-13-16-6-2-1-3-7-16)14-26-15-21(25)23-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,24)(H,23,25)
InChIKeyLLOIYKCRRGYMMK-UHFFFAOYSA-N
XLogP3.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide (CID 588601) is N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide is O=C(CSCC(=O)Nc1ccc2ccccc2c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is LLOIYKCRRGYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-20(22-13-16-6-2-1-3-7-16)14-26-15-21(25)23-19-11-10-17-8-4-5-9-18(17)12-19/h1-12H,13-15H2,(H,22,24)(H,23,25).
What are the key properties of N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide?
N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 364.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 588601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).