3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one

C24H23NOS — CID 10833174

IUPAC3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
SMILESCC(C)N1C(=O)C(c2ccccc2)(c2ccccc2)C1(S)c1ccccc1
InChIInChI=1S/C24H23NOS/c1-18(2)25-22(26)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)24(25,27)21-16-10-5-11-17-21/h3-18,27H,1-2H3
InChIKeyFDXDNWDNVCQDDG-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.01
Rot. Bonds4

About 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one

3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one (PubChem CID 10833174) has the molecular formula C24H23NOS and a molecular weight of 373.52 g/mol. Its IUPAC name is 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one.

Molecular Properties

Compound Name3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
PubChem CID10833174
Molecular FormulaC24H23NOS
Molecular Weight373.52 g/mol
Exact Mass373.15
IUPAC Name3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one
SMILESCC(C)N1C(=O)C(c2ccccc2)(c2ccccc2)C1(S)c1ccccc1
InChIInChI=1S/C24H23NOS/c1-18(2)25-22(26)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)24(25,27)21-16-10-5-11-17-21/h3-18,27H,1-2H3
InChIKeyFDXDNWDNVCQDDG-UHFFFAOYSA-N
XLogP5.01
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-3-methyl-1,3,4-triphenyl-4-sulfanylazetidin-2-one
CID 102253073
5,5-diphenyl-1-propan-2-yl-3-trimethylsilylimidazolidine-2,4-dione
CID 140848569
5,5-diphenyl-1-propan-2-yl-3-triphenylsilylimidazolidine-2,4-dione
CID 140848438
1-chloro-3,3,4-triphenyl-4-phosphanylpyrrolidine-2,5-dione
CID 141471660
3-methyl-3-phenyl-1-propan-2-ylazetidine
CID 121277352
4,5-dimethyl-4-phenyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 69117828
9-hydroxy-6-phenyl-5-propan-2-yl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859635
4-(chloromethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 12953546
3-phenyl-1-propan-2-ylazetidin-3-ol
CID 58547253
3-cyclopropyl-6-methyl-6-phenyl-1-propan-2-ylpiperazine-2,5-dione
CID 64886030
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(4R)-4-(2-hydroxyethyl)-3,3-diphenyl-1-propan-2-ylpyrrolidin-2-one
CID 95560288

Frequently Asked Questions

What is the IUPAC name of 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one?
The IUPAC name of 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one (CID 10833174) is 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one.
What is the SMILES notation for 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one?
The canonical SMILES for 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one is CC(C)N1C(=O)C(c2ccccc2)(c2ccccc2)C1(S)c1ccccc1.
What is the InChIKey of 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one?
The InChIKey is FDXDNWDNVCQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NOS/c1-18(2)25-22(26)23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)24(25,27)21-16-10-5-11-17-21/h3-18,27H,1-2H3.
What are the key properties of 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one?
3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one has a molecular weight of 373.52 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-triphenyl-1-propan-2-yl-4-sulfanylazetidin-2-one is sourced from PubChem (CID 10833174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).