4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide

C24H24N2O6S — CID 134131189

IUPAC4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide
SMILESCOc1ccc([C@@H]2C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1
InChIKeyIJIDZGOCIMGBNL-GOTSBHOMSA-N
MW468.53 g/mol
LogP3.23
Rot. Bonds7

About 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide

4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide (PubChem CID 134131189) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide
PubChem CID134131189
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide
SMILESCOc1ccc([C@@H]2C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1
InChIKeyIJIDZGOCIMGBNL-GOTSBHOMSA-N
XLogP3.23
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide (CID 134131189) is 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide is COc1ccc([C@@H]2C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide?
The InChIKey is IJIDZGOCIMGBNL-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-30-18-9-4-15(5-10-18)22-23(16-6-13-20(31-2)21(14-16)32-3)26(24(22)27)17-7-11-19(12-8-17)33(25,28)29/h4-14,22-23H,1-3H3,(H2,25,28,29)/t22-,23-/m0/s1.
What are the key properties of 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide?
4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide has a molecular weight of 468.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-4-oxoazetidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 134131189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).