(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one

C24H23NOS — CID 15624091

IUPAC(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C24H23NOS/c1-2-21-23(26)25(24(21)27-20-16-10-5-11-17-20)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22,24H,2H2,1H3/t21-,24+/m1/s1
InChIKeyFUHGXOXEPWXDSQ-QPPBQGQZSA-N
MW373.52 g/mol
LogP5.76
Rot. Bonds6

About (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one

(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one (PubChem CID 15624091) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one
PubChem CID15624091
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one
SMILESCC[C@@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1Sc1ccccc1
InChIInChI=1S/C24H23NOS/c1-2-21-23(26)25(24(21)27-20-16-10-5-11-17-20)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22,24H,2H2,1H3/t21-,24+/m1/s1
InChIKeyFUHGXOXEPWXDSQ-QPPBQGQZSA-N
XLogP5.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24761273
4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1-propyl-1,4-diazepan-5-one
CID 24761285
1-(2-phenylethyl)-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24761309
1-benzyl-4-[(2S)-4-methyl-1-phenylsulfanylpentan-2-yl]-1,4-diazepan-5-one
CID 24766931
1-benzyl-4-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]-1,4-diazepan-5-one
CID 24767169
1-benzyl-4-[(1S)-1-phenyl-2-phenylsulfanylethyl]-1,4-diazepan-5-one
CID 24767273
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
CID 4787633
4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-(2-phenylethyl)-1,4-diazepan-5-one
CID 16746516
1-benzyl-4-[(2S)-3-methyl-1-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 24767166
N-benzhydryl-2-oxo-4-phenylsulfanylazetidine-1-carboxamide
CID 118726244
N-benzhydryl-2-(4-fluorophenyl)sulfanyl-4-oxoazetidine-1-carboxamide
CID 118726247
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one (CID 15624091) is (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one is CC[C@@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1Sc1ccccc1.
What is the InChIKey of (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one?
The InChIKey is FUHGXOXEPWXDSQ-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H23NOS/c1-2-21-23(26)25(24(21)27-20-16-10-5-11-17-20)22(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22,24H,2H2,1H3/t21-,24+/m1/s1.
What are the key properties of (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one?
(3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one has a molecular weight of 373.52 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-benzhydryl-3-ethyl-4-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 15624091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).