[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate

C24H25NO3S — CID 9205201

IUPAC[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCCN(CC)C(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H25NO3S/c1-3-25(4-2)24(27)23(19-11-6-5-7-12-19)28-22(26)17-29-21-15-14-18-10-8-9-13-20(18)16-21/h5-16,23H,3-4,17H2,1-2H3/t23-/m1/s1
InChIKeyWHRJQROCHCDYDE-HSZRJFAPSA-N
MW407.54 g/mol
LogP5.08
Rot. Bonds8

About [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate

[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate (PubChem CID 9205201) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate.

Molecular Properties

Compound Name[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
PubChem CID9205201
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
SMILESCCN(CC)C(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C24H25NO3S/c1-3-25(4-2)24(27)23(19-11-6-5-7-12-19)28-22(26)17-29-21-15-14-18-10-8-9-13-20(18)16-21/h5-16,23H,3-4,17H2,1-2H3/t23-/m1/s1
InChIKeyWHRJQROCHCDYDE-HSZRJFAPSA-N
XLogP5.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 8600784
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7700584
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 2541898
[(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 8642439
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 8601060
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
phenacyl 2-naphthalen-2-ylsulfanylacetate
CID 2380984
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 46629577
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722084
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
1-naphthalen-2-ylsulfanylpentan-2-one
CID 62042537

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The IUPAC name of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate (CID 9205201) is [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate.
What is the SMILES notation for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The canonical SMILES for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate is CCN(CC)C(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
The InChIKey is WHRJQROCHCDYDE-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-3-25(4-2)24(27)23(19-11-6-5-7-12-19)28-22(26)17-29-21-15-14-18-10-8-9-13-20(18)16-21/h5-16,23H,3-4,17H2,1-2H3/t23-/m1/s1.
What are the key properties of [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate?
[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate has a molecular weight of 407.54 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate is sourced from PubChem (CID 9205201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).