N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide

C22H30N2O2S — CID 2876962

IUPACN-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H30N2O2S/c1-21(2,3)15-22(4,5)24-20(26)14-27-13-19(25)23-18-11-10-16-8-6-7-9-17(16)12-18/h6-12H,13-15H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyQSXWZDIMVJWCEF-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.84
Rot. Bonds7

About N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide

N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide (PubChem CID 2876962) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide
PubChem CID2876962
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C22H30N2O2S/c1-21(2,3)15-22(4,5)24-20(26)14-27-13-19(25)23-18-11-10-16-8-6-7-9-17(16)12-18/h6-12H,13-15H2,1-5H3,(H,23,25)(H,24,26)
InChIKeyQSXWZDIMVJWCEF-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.84
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-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide?
The IUPAC name of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide (CID 2876962) is N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide?
The canonical SMILES for N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide is CC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide?
The InChIKey is QSXWZDIMVJWCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-21(2,3)15-22(4,5)24-20(26)14-27-13-19(25)23-18-11-10-16-8-6-7-9-17(16)12-18/h6-12H,13-15H2,1-5H3,(H,23,25)(H,24,26).
What are the key properties of N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide?
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide has a molecular weight of 386.56 g/mol, XLogP of 4.84, 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-(2,4,4-trimethylpentan-2-ylamino)ethyl]sulfanylacetamide is sourced from PubChem (CID 2876962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).