benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate

C23H23NO2S — CID 14237738

IUPACbenzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate
SMILESO=C(N[C@H](CSc1ccccc1)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-23(26-17-20-12-6-2-7-13-20)24-21(16-19-10-4-1-5-11-19)18-27-22-14-8-3-9-15-22/h1-15,21H,16-18H2,(H,24,25)/t21-/m0/s1
InChIKeyJZXLFCMFKCWJSN-NRFANRHFSA-N
MW377.51 g/mol
LogP5.32
Rot. Bonds8

About benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate

benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate (PubChem CID 14237738) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate
PubChem CID14237738
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Namebenzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate
SMILESO=C(N[C@H](CSc1ccccc1)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H23NO2S/c25-23(26-17-20-12-6-2-7-13-20)24-21(16-19-10-4-1-5-11-19)18-27-22-14-8-3-9-15-22/h1-15,21H,16-18H2,(H,24,25)/t21-/m0/s1
InChIKeyJZXLFCMFKCWJSN-NRFANRHFSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(S)-1-((3R,4S)-2-Oxo-4-phenylsulfanyl-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 10457653
benzyl N-[(2S)-1-oxo-3-phenylsulfanyl-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]carbamate
CID 168282671
N-[(4S)-1-[(1S)-1-benzyl-2-(phenylthio)ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester
CID 24793611
N-[(4S)-1-[(1S)-1-benzyl-2-(p-tolylthio)ethyl]-7-keto-azepan-4-yl]carbamic acid benzyl ester
CID 24816508
[(S)-1-((3R,4R)-2-Oxo-4-phenylsulfanyl-azetidin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 44279475
Benzyl phenethylcarbamate
CID 4779135
benzyl N-[(2S)-1-fluorosulfonyl-3-phenylpropan-2-yl]carbamate
CID 44157972
(R)-2-(((Benzyloxy)carbonyl)amino)-3-(phenylthio)propanoic acid
CID 2733947
benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate
CID 3418933
benzyl N-[(4R)-7-oxo-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-4-yl]carbamate
CID 24789298
benzyl N-[7-oxo-1-(2-phenylsulfanylethyl)azepan-4-yl]carbamate
CID 24789474
benzyl N-[(4R)-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenylpropyl]-7-oxoazepan-4-yl]carbamate
CID 24816484

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate (CID 14237738) is benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate is O=C(N[C@H](CSc1ccccc1)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate?
The InChIKey is JZXLFCMFKCWJSN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23NO2S/c25-23(26-17-20-12-6-2-7-13-20)24-21(16-19-10-4-1-5-11-19)18-27-22-14-8-3-9-15-22/h1-15,21H,16-18H2,(H,24,25)/t21-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate has a molecular weight of 377.51 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]carbamate is sourced from PubChem (CID 14237738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).