(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one

C23H21NO3S — CID 101226583

IUPAC(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](Sc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-26-18-12-8-16(9-13-18)21-22(28-20-6-4-3-5-7-20)23(25)24(21)17-10-14-19(27-2)15-11-17/h3-15,21-22H,1-2H3/t21-,22-/m1/s1
InChIKeyGHFSYBKRKZUTCP-FGZHOGPDSA-N
MW391.49 g/mol
LogP4.95
Rot. Bonds6

About (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one

(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one (PubChem CID 101226583) has the molecular formula C23H21NO3S and a molecular weight of 391.49 g/mol. Its IUPAC name is (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
PubChem CID101226583
Molecular FormulaC23H21NO3S
Molecular Weight391.49 g/mol
Exact Mass391.12
IUPAC Name(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one
SMILESCOc1ccc([C@@H]2[C@@H](Sc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H21NO3S/c1-26-18-12-8-16(9-13-18)21-22(28-20-6-4-3-5-7-20)23(25)24(21)17-10-14-19(27-2)15-11-17/h3-15,21-22H,1-2H3/t21-,22-/m1/s1
InChIKeyGHFSYBKRKZUTCP-FGZHOGPDSA-N
XLogP4.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1,4-bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylazetidin-2-one
CID 154585966
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3S,4R)-3-ethenyl-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 14068192
(3R,4R)-1-(4-methoxyphenyl)-4-phenyl-3-propan-2-ylazetidin-2-one
CID 13219690
(4R,5R)-1,3,4,5-tetrakis(4-methoxyphenyl)imidazolidin-2-one
CID 11124062
(3R,4S)-3-[(Z)-2-methoxyethenyl]-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 102251895
(3R,4S)-1-(4-methoxyphenyl)-4-phenyl-3-prop-1-en-2-ylazetidin-2-one
CID 100945342
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one?
The IUPAC name of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one (CID 101226583) is (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one.
What is the SMILES notation for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one?
The canonical SMILES for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one is COc1ccc([C@@H]2[C@@H](Sc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one?
The InChIKey is GHFSYBKRKZUTCP-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H21NO3S/c1-26-18-12-8-16(9-13-18)21-22(28-20-6-4-3-5-7-20)23(25)24(21)17-10-14-19(27-2)15-11-17/h3-15,21-22H,1-2H3/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one?
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one has a molecular weight of 391.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,4-bis(4-methoxyphenyl)-3-phenylsulfanylazetidin-2-one is sourced from PubChem (CID 101226583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).