(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate

C22H19NO3S — CID 7842927

IUPAC(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H19NO3S/c24-20(23-18-12-6-2-7-13-18)16-26-22(25)21(17-10-4-1-5-11-17)27-19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,24)/t21-/m0/s1
InChIKeyAAIGRVPZORWCGR-NRFANRHFSA-N
MW377.47 g/mol
LogP4.70
Rot. Bonds7

About (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate

(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 7842927) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
PubChem CID7842927
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
SMILESO=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C22H19NO3S/c24-20(23-18-12-6-2-7-13-18)16-26-22(25)21(17-10-4-1-5-11-17)27-19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,24)/t21-/m0/s1
InChIKeyAAIGRVPZORWCGR-NRFANRHFSA-N
XLogP4.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842743
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8938898
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate
CID 4159737
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842747
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2365823

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate (CID 7842927) is (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate is O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is AAIGRVPZORWCGR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H19NO3S/c24-20(23-18-12-6-2-7-13-18)16-26-22(25)21(17-10-4-1-5-11-17)27-19-14-8-3-9-15-19/h1-15,21H,16H2,(H,23,24)/t21-/m0/s1.
What are the key properties of (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate?
(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 377.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 7842927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).