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

C17H17NO3S — CID 2356473

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(COC(=O)CSc1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C17H17NO3S/c19-16(18-14-6-7-14)10-21-17(20)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,18,19)
InChIKeyIQHAMNXSVDXNGO-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.75
Rot. Bonds6

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

[2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 2356473) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID2356473
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESO=C(COC(=O)CSc1ccc2ccccc2c1)NC1CC1
InChIInChI=1S/C17H17NO3S/c19-16(18-14-6-7-14)10-21-17(20)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,18,19)
InChIKeyIQHAMNXSVDXNGO-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
[2-(Cyclopentylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 2353564
[1-(Benzylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24978779
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24982764
[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
[2-(Cyclooctylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24979609
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-(4-methylphenyl)sulfanylacetate
CID 24980071
[2-[2-[[2-[2-(3,4-Dimethylphenyl)sulfanylacetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24982412
[2-(Cyclohexylmethylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 24980330

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate (CID 2356473) is [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is IQHAMNXSVDXNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c19-16(18-14-6-7-14)10-21-17(20)11-22-15-8-5-12-3-1-2-4-13(12)9-15/h1-5,8-9,14H,6-7,10-11H2,(H,18,19).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 315.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 2356473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).