[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

C19H21NO3S — CID 2353564

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCC1
InChIInChI=1S/C19H21NO3S/c21-18(20-16-7-3-4-8-16)12-23-19(22)13-24-17-10-9-14-5-1-2-6-15(14)11-17/h1-2,5-6,9-11,16H,3-4,7-8,12-13H2,(H,20,21)
InChIKeyJGXXQTRLLHFDIL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.53
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate

[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 2353564) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID2353564
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCC1
InChIInChI=1S/C19H21NO3S/c21-18(20-16-7-3-4-8-16)12-23-19(22)13-24-17-10-9-14-5-1-2-6-15(14)11-17/h1-2,5-6,9-11,16H,3-4,7-8,12-13H2,(H,20,21)
InChIKeyJGXXQTRLLHFDIL-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cycloheptylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24687520
2-(Cyclopropylamino)-2-oxoethyl 2-(naphthalen-2-ylthio)acetate
CID 2356473
[2-(Cyclohexylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2458106
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3888275
[1-(Benzylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24978779
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-fluorophenyl)sulfanylacetate
CID 24979827
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
[2-[1-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25161535
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 25163664
[2-(Cyclopropylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate
CID 2334933
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 4540030
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 7352723

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 2353564) is [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is JGXXQTRLLHFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c21-18(20-16-7-3-4-8-16)12-23-19(22)13-24-17-10-9-14-5-1-2-6-15(14)11-17/h1-2,5-6,9-11,16H,3-4,7-8,12-13H2,(H,20,21).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 343.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 2353564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).