(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate

C22H20O4S — CID 7795703

IUPAC(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H20O4S/c1-15(23)17-8-10-21(25-2)19(11-17)13-26-22(24)14-27-20-9-7-16-5-3-4-6-18(16)12-20/h3-12H,13-14H2,1-2H3
InChIKeyLVTDBXCPOHIDPM-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.89
Rot. Bonds7

About (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate

(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate (PubChem CID 7795703) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
PubChem CID7795703
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C22H20O4S/c1-15(23)17-8-10-21(25-2)19(11-17)13-26-22(24)14-27-20-9-7-16-5-3-4-6-18(16)12-20/h3-12H,13-14H2,1-2H3
InChIKeyLVTDBXCPOHIDPM-UHFFFAOYSA-N
XLogP4.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 7836049
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
[2-(2-methoxyphenyl)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642063
(5-acetyl-2-methoxyphenyl)methyl 2-(9-oxoacridin-10-yl)acetate
CID 16612383
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
(2,6-dichlorophenyl)methyl 2-naphthalen-2-ylsulfanylacetate
CID 7795777
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4569482
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783690
(5-acetyl-2-methoxyphenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882051
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[2-(2-acetylanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 8642247

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate (CID 7795703) is (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate is COc1ccc(C(C)=O)cc1COC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is LVTDBXCPOHIDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4S/c1-15(23)17-8-10-21(25-2)19(11-17)13-26-22(24)14-27-20-9-7-16-5-3-4-6-18(16)12-20/h3-12H,13-14H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate?
(5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 380.47 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 7795703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).