(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one

C17H17NOS — CID 15213599

IUPAC(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)20-17-11-16(19)18(17)12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyGDANRBWCZUIUOV-QGZVFWFLSA-N
MW283.40 g/mol
LogP3.85
Rot. Bonds4

About (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one

(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one (PubChem CID 15213599) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one
PubChem CID15213599
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)20-17-11-16(19)18(17)12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m1/s1
InChIKeyGDANRBWCZUIUOV-QGZVFWFLSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzyl-2-phenylthiazolidin-4-one
CID 231889
3-Benzyl-5-methyl-2-phenyl-thiazolidin-4-one
CID 2839914
N-Benzyl-2-p-tolylsulfanyl-acetamide
CID 846551
N-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)thio]acetamide
CID 881507
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
3-Benzyl-2-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 3470012
N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
N-[1-(4-Benzylsulfanyl-phenyl)-ethyl]-N-hydroxy-acetamide
CID 14156802
4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 16746457

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one (CID 15213599) is (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one is Cc1ccc(S[C@@H]2CC(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The InChIKey is GDANRBWCZUIUOV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NOS/c1-13-7-9-15(10-8-13)20-17-11-16(19)18(17)12-14-5-3-2-4-6-14/h2-10,17H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
(4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one has a molecular weight of 283.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-(4-methylphenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 15213599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).