[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

C22H25NO3S — CID 7352779

IUPAC[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C22H25NO3S/c1-15-10-11-20(16(2)12-15)27-14-22(25)26-13-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,10-12,19H,5,7,9,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyJNNGPRUFDAZYQG-LJQANCHMSA-N
MW383.51 g/mol
LogP4.13
Rot. Bonds6

About [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 7352779) has the molecular formula C22H25NO3S and a molecular weight of 383.51 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID7352779
Molecular FormulaC22H25NO3S
Molecular Weight383.51 g/mol
Exact Mass383.16
IUPAC Name[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCc1ccc(SCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C22H25NO3S/c1-15-10-11-20(16(2)12-15)27-14-22(25)26-13-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,10-12,19H,5,7,9,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyJNNGPRUFDAZYQG-LJQANCHMSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 8854948
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8911653
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3S)-3-phenylbutanoate
CID 7227571
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375282
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821281
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-oxopentanoate
CID 8613358
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362094
2-[(2,5-dimethylphenyl)methylsulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25362095
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-cyclopentylacetate
CID 23848552
2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7973944
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 2546335

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 7352779) is [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is Cc1ccc(SCC(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1.
What is the InChIKey of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is JNNGPRUFDAZYQG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25NO3S/c1-15-10-11-20(16(2)12-15)27-14-22(25)26-13-21(24)23-19-9-5-7-17-6-3-4-8-18(17)19/h3-4,6,8,10-12,19H,5,7,9,13-14H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 383.51 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7352779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).