3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide

C25H20N2O5S — CID 123777303

IUPAC3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide
SMILESNC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1
InChIInChI=1S/C25H20N2O5S/c26-25(29)16-3-1-4-18(13-16)32-21-6-2-5-19-20(21)11-12-22(19)31-17-9-7-15(8-10-17)23-14-24(28)27-33(23)30/h1-10,13-14,22H,11-12H2,(H2,26,29)(H,27,28)/t22-,33?/m1/s1
InChIKeyPMPSNGFJULOCIF-LWMFVPLKSA-N
MW460.51 g/mol
LogP3.78
Rot. Bonds6

About 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide

3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide (PubChem CID 123777303) has the molecular formula C25H20N2O5S and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide
PubChem CID123777303
Molecular FormulaC25H20N2O5S
Molecular Weight460.51 g/mol
Exact Mass460.11
IUPAC Name3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide
SMILESNC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1
InChIInChI=1S/C25H20N2O5S/c26-25(29)16-3-1-4-18(13-16)32-21-6-2-5-19-20(21)11-12-22(19)31-17-9-7-15(8-10-17)23-14-24(28)27-33(23)30/h1-10,13-14,22H,11-12H2,(H2,26,29)(H,27,28)/t22-,33?/m1/s1
InChIKeyPMPSNGFJULOCIF-LWMFVPLKSA-N
XLogP3.78
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[[(1R)-4-[3-(2-hydroxyethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123720904
4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzene-1,3-dicarbonitrile
CID 123629188
5-[4-[(4-cyclohexyloxy-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67972816
5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123317451
4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]-2-(2-oxo-1,3-oxazolidin-3-yl)benzonitrile
CID 123426083
6-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
CID 123322980
5-[4-[[(1R)-4-[4-(2-ethoxyethoxy)-2,6-dimethylphenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123885762
5-[4-[[(1R)-4-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123752112
5-[4-[[(1R)-4-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 67986926
5-[4-[[(1R)-4-(3-fluoro-4-methylphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123743883
2-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione;5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 159994968
5-[4-[[(1R)-4-[6-(cyclopropylmethoxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123429748

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide?
The IUPAC name of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide (CID 123777303) is 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide.
What is the SMILES notation for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide?
The canonical SMILES for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide is NC(=O)c1cccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3=CC(=O)NS3=O)cc2)c1.
What is the InChIKey of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide?
The InChIKey is PMPSNGFJULOCIF-LWMFVPLKSA-N. The full InChI is InChI=1S/C25H20N2O5S/c26-25(29)16-3-1-4-18(13-16)32-21-6-2-5-19-20(21)11-12-22(19)31-17-9-7-15(8-10-17)23-14-24(28)27-33(23)30/h1-10,13-14,22H,11-12H2,(H2,26,29)(H,27,28)/t22-,33?/m1/s1.
What are the key properties of 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide?
3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide has a molecular weight of 460.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide is sourced from PubChem (CID 123777303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).