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

C23H21NOS — CID 15213602

IUPAC(4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NOS/c1-17-12-14-20(15-13-17)26-22-16-21(25)24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3/t22-/m1/s1
InChIKeyQPRHLCNZWREAER-JOCHJYFZSA-N
MW359.49 g/mol
LogP5.44
Rot. Bonds5

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

(4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one (PubChem CID 15213602) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one
PubChem CID15213602
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC Name(4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCc1ccc(S[C@@H]2CC(=O)N2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NOS/c1-17-12-14-20(15-13-17)26-22-16-21(25)24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3/t22-/m1/s1
InChIKeyQPRHLCNZWREAER-JOCHJYFZSA-N
XLogP5.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
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)-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
2-(4-(Methylsulfonyl)phenyl)-3-phenethyl-1,3-thiazinan-4-one
CID 54584102
N-(1-Phenyl-ethyl)-2-p-tolylsulfanyl-acetamide
CID 2890360
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-diphenylacetamide
CID 4787633

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The IUPAC name of (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one (CID 15213602) is (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one.
What is the SMILES notation for (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The canonical SMILES for (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one is Cc1ccc(S[C@@H]2CC(=O)N2C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The InChIKey is QPRHLCNZWREAER-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21NOS/c1-17-12-14-20(15-13-17)26-22-16-21(25)24(22)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3/t22-/m1/s1.
What are the key properties of (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one?
(4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one has a molecular weight of 359.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzhydryl-4-(4-methylphenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 15213602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).