[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

C23H21NO4S — CID 8821265

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESCOc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4S/c1-27-20-15-9-8-14-19(20)24-21(25)16-28-23(26)22(17-10-4-2-5-11-17)29-18-12-6-3-7-13-18/h2-15,22H,16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyQHAWFPQPQAGVRL-JOCHJYFZSA-N
MW407.49 g/mol
LogP4.71
Rot. Bonds8

About [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate

[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (PubChem CID 8821265) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
PubChem CID8821265
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
SMILESCOc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4S/c1-27-20-15-9-8-14-19(20)24-21(25)16-28-23(26)22(17-10-4-2-5-11-17)29-18-12-6-3-7-13-18/h2-15,22H,16H2,1H3,(H,24,25)/t22-/m1/s1
InChIKeyQHAWFPQPQAGVRL-JOCHJYFZSA-N
XLogP4.71
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821252
(2-anilino-2-oxoethyl) (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842927
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842747
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842774
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 2389381
N-[4-[2-(2-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]butanamide
CID 22780109
[2-(3-fluoroanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 7842743
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806358
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 8821233
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,2-diphenylacetate
CID 4145246
[2-(2-methoxyanilino)-2-oxoethyl] (2S)-2-phenoxybutanoate
CID 7233320

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate (CID 8821265) is [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is COc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
The InChIKey is QHAWFPQPQAGVRL-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-27-20-15-9-8-14-19(20)24-21(25)16-28-23(26)22(17-10-4-2-5-11-17)29-18-12-6-3-7-13-18/h2-15,22H,16H2,1H3,(H,24,25)/t22-/m1/s1.
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate?
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate has a molecular weight of 407.49 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 8821265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).