S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate

C22H21NOS — CID 10593785

IUPACS-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate
SMILESC[C@@H](N[C@@H](C(=O)Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17(18-11-5-2-6-12-18)23-21(19-13-7-3-8-14-19)22(24)25-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21-/m1/s1
InChIKeyUTJXWOFUPJWQSS-DYESRHJHSA-N
MW347.48 g/mol
LogP5.40
Rot. Bonds6

About S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate

S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate (PubChem CID 10593785) has the molecular formula C22H21NOS and a molecular weight of 347.48 g/mol. Its IUPAC name is S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate.

Molecular Properties

Compound NameS-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate
PubChem CID10593785
Molecular FormulaC22H21NOS
Molecular Weight347.48 g/mol
Exact Mass347.13
IUPAC NameS-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate
SMILESC[C@@H](N[C@@H](C(=O)Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NOS/c1-17(18-11-5-2-6-12-18)23-21(19-13-7-3-8-14-19)22(24)25-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21-/m1/s1
InChIKeyUTJXWOFUPJWQSS-DYESRHJHSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate with MolForge

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Related Compounds

(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
S-phenyl (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 101145099
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236
2-phenyl-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetic acid
CID 103258955
2-(4-methoxyphenyl)-2-(1-phenylethylamino)acetic acid
CID 82344765
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
S-phenyl 2-phenyl-2-phenylsulfanylethanethioate
CID 12597831
(2R)-2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-phenylacetamide
CID 94180432
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
S-phenyl 2-methyl-3-oxopentanethioate
CID 11481460

Frequently Asked Questions

What is the IUPAC name of S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate?
The IUPAC name of S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate (CID 10593785) is S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate.
What is the SMILES notation for S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate?
The canonical SMILES for S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate is C[C@@H](N[C@@H](C(=O)Sc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate?
The InChIKey is UTJXWOFUPJWQSS-DYESRHJHSA-N. The full InChI is InChI=1S/C22H21NOS/c1-17(18-11-5-2-6-12-18)23-21(19-13-7-3-8-14-19)22(24)25-20-15-9-4-10-16-20/h2-17,21,23H,1H3/t17-,21-/m1/s1.
What are the key properties of S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate?
S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate has a molecular weight of 347.48 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl (2R)-2-phenyl-2-[[(1R)-1-phenylethyl]amino]ethanethioate is sourced from PubChem (CID 10593785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).