[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate

C23H21F2NO3S — CID 18204382

IUPAC[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)c(F)c1)Oc1ccc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C23H21F2NO3S/c24-20-7-6-17(13-21(20)25)30-15-23(27)29-22-8-5-16-3-1-2-4-18(16)19(22)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14-15H2
InChIKeyKUIHAEWXRHGYOC-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.65
Rot. Bonds6

About [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate

[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate (PubChem CID 18204382) has the molecular formula C23H21F2NO3S and a molecular weight of 429.49 g/mol. Its IUPAC name is [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate
PubChem CID18204382
Molecular FormulaC23H21F2NO3S
Molecular Weight429.49 g/mol
Exact Mass429.12
IUPAC Name[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate
SMILESO=C(CSc1ccc(F)c(F)c1)Oc1ccc2ccccc2c1CN1CCOCC1
InChIInChI=1S/C23H21F2NO3S/c24-20-7-6-17(13-21(20)25)30-15-23(27)29-22-8-5-16-3-1-2-4-18(16)19(22)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14-15H2
InChIKeyKUIHAEWXRHGYOC-UHFFFAOYSA-N
XLogP4.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4875497
10-(anthracen-9-ylmethyl)-1,4,7-trioxa-10-azacyclododecane
CID 101025185
naphthalen-1-yl 3-morpholin-4-ylpropanoate
CID 68790783
phenanthren-3-yl 2-morpholin-4-ylacetate
CID 150233502
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18145207
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 35545428
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
(3,4-difluorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724260

Frequently Asked Questions

What is the IUPAC name of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate?
The IUPAC name of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate (CID 18204382) is [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate.
What is the SMILES notation for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate?
The canonical SMILES for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate is O=C(CSc1ccc(F)c(F)c1)Oc1ccc2ccccc2c1CN1CCOCC1.
What is the InChIKey of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate?
The InChIKey is KUIHAEWXRHGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2NO3S/c24-20-7-6-17(13-21(20)25)30-15-23(27)29-22-8-5-16-3-1-2-4-18(16)19(22)14-26-9-11-28-12-10-26/h1-8,13H,9-12,14-15H2.
What are the key properties of [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate?
[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate has a molecular weight of 429.49 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate is sourced from PubChem (CID 18204382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).