(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one

C18H19NOS — CID 134918440

IUPAC(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2C(C)c2ccccc2)cc1
InChIInChI=1S/C18H19NOS/c1-13-8-10-16(11-9-13)21-18-12-17(20)19(18)14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3/t14?,18-/m1/s1
InChIKeyXASINCZWWAWRDQ-XPKAQORNSA-N
MW297.42 g/mol
LogP4.41
Rot. Bonds4

About (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one

(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one (PubChem CID 134918440) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one
PubChem CID134918440
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2C(C)c2ccccc2)cc1
InChIInChI=1S/C18H19NOS/c1-13-8-10-16(11-9-13)21-18-12-17(20)19(18)14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3/t14?,18-/m1/s1
InChIKeyXASINCZWWAWRDQ-XPKAQORNSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
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
N-benzyl-N-ethyl-2-(phenylsulfonyl)acetamide
CID 2984897
N-[1-(4-Benzylsulfanyl-phenyl)-ethyl]-N-hydroxy-acetamide
CID 14156802
1-methyl-4-[(2S)-1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-yl]-1,4-diazepan-5-one
CID 16060966
4-[(2S)-4-methyl-1-(4-methylphenyl)sulfanylpentan-2-yl]-1-(2-phenylethyl)-1,4-diazepan-5-one
CID 16060985
4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 16746457
4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1-propyl-1,4-diazepan-5-one
CID 16746489
1-methyl-4-[(1S)-2-(4-methylphenyl)sulfanyl-1-phenylethyl]-1,4-diazepan-5-one
CID 16746507

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one?
The IUPAC name of (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one (CID 134918440) is (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one.
What is the SMILES notation for (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one?
The canonical SMILES for (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one is Cc1ccc(S[C@@H]2CC(=O)N2C(C)c2ccccc2)cc1.
What is the InChIKey of (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one?
The InChIKey is XASINCZWWAWRDQ-XPKAQORNSA-N. The full InChI is InChI=1S/C18H19NOS/c1-13-8-10-16(11-9-13)21-18-12-17(20)19(18)14(2)15-6-4-3-5-7-15/h3-11,14,18H,12H2,1-2H3/t14?,18-/m1/s1.
What are the key properties of (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one?
(4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one has a molecular weight of 297.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylphenyl)sulfanyl-1-(1-phenylethyl)azetidin-2-one is sourced from PubChem (CID 134918440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).