[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate

C20H18O3S — CID 7603594

IUPAC[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1cc(C(=O)COC(=O)Cc2cccc3ccccc23)c(C)s1
InChIInChI=1S/C20H18O3S/c1-13-10-18(14(2)24-13)19(21)12-23-20(22)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3
InChIKeyZLKYZNKONSZRSB-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.49
Rot. Bonds5

About [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 7603594) has the molecular formula C20H18O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID7603594
Molecular FormulaC20H18O3S
Molecular Weight338.43 g/mol
Exact Mass338.10
IUPAC Name[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESCc1cc(C(=O)COC(=O)Cc2cccc3ccccc23)c(C)s1
InChIInChI=1S/C20H18O3S/c1-13-10-18(14(2)24-13)19(21)12-23-20(22)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3
InChIKeyZLKYZNKONSZRSB-UHFFFAOYSA-N
XLogP4.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-naphthalen-1-yl-2-oxoethyl) 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 9464807
[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782971
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-hydroxybenzoate
CID 8861754
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 18286411
[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 8887661
methyl 4-[2,5-dimethyl-3-[2-(2-naphthalen-1-ylacetyl)oxyacetyl]pyrrol-1-yl]butanoate
CID 7782959
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7604414
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7537155
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123266
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7400096

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 7603594) is [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate is Cc1cc(C(=O)COC(=O)Cc2cccc3ccccc23)c(C)s1.
What is the InChIKey of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is ZLKYZNKONSZRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3S/c1-13-10-18(14(2)24-13)19(21)12-23-20(22)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3.
What are the key properties of [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 338.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 7603594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).