(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

C23H23NO5S — CID 54583407

IUPAC(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23NO5S/c1-26-16-9-7-14(8-10-16)21-20(19-6-5-11-30-19)23(25)24(21)15-12-17(27-2)22(29-4)18(13-15)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1
InChIKeyUBXLUMZFFJRGAV-BPGUCPLFSA-N
MW425.51 g/mol
LogP4.65
Rot. Bonds7

About (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one

(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (PubChem CID 54583407) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
PubChem CID54583407
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@@H]2C(c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H23NO5S/c1-26-16-9-7-14(8-10-16)21-20(19-6-5-11-30-19)23(25)24(21)15-12-17(27-2)22(29-4)18(13-15)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1
InChIKeyUBXLUMZFFJRGAV-BPGUCPLFSA-N
XLogP4.65
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The IUPAC name of (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one (CID 54583407) is (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is COc1ccc([C@@H]2C(c3cccs3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
The InChIKey is UBXLUMZFFJRGAV-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-26-16-9-7-14(8-10-16)21-20(19-6-5-11-30-19)23(25)24(21)15-12-17(27-2)22(29-4)18(13-15)28-3/h5-13,20-21H,1-4H3/t20?,21-/m1/s1.
What are the key properties of (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one?
(4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one has a molecular weight of 425.51 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-methoxyphenyl)-3-thiophen-2-yl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54583407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).