[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

C24H23NO3S — CID 8821249

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3S/c1-25(17-19-11-5-2-6-12-19)22(26)18-28-24(27)23(20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h2-16,23H,17-18H2,1H3/t23-/m0/s1
InChIKeyDUYCFCILYBUHSU-QHCPKHFHSA-N
MW405.52 g/mol
LogP4.72
Rot. Bonds8

About [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate

[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 8821249) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID8821249
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C24H23NO3S/c1-25(17-19-11-5-2-6-12-19)22(26)18-28-24(27)23(20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h2-16,23H,17-18H2,1H3/t23-/m0/s1
InChIKeyDUYCFCILYBUHSU-QHCPKHFHSA-N
XLogP4.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132228
[2-(2-bromophenyl)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2412040
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2,2-diphenylacetate
CID 9229252
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 2381288
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7984059
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544093
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate (CID 8821249) is [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is CN(Cc1ccccc1)C(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is DUYCFCILYBUHSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-25(17-19-11-5-2-6-12-19)22(26)18-28-24(27)23(20-13-7-3-8-14-20)29-21-15-9-4-10-16-21/h2-16,23H,17-18H2,1H3/t23-/m0/s1.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate?
[2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 405.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 8821249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).