5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

C22H22N2O3S — CID 76581972

IUPAC5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)C(C)(C(=O)Nc1nccs1)C2
InChIInChI=1S/C22H22N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3,(H,23,24,25)
InChIKeyUDSPSUBPMWJVFS-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.49
Rot. Bonds5

About 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide

5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (PubChem CID 76581972) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
PubChem CID76581972
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(c1ccccc1)C(C)(C(=O)Nc1nccs1)C2
InChIInChI=1S/C22H22N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3,(H,23,24,25)
InChIKeyUDSPSUBPMWJVFS-UHFFFAOYSA-N
XLogP4.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide (CID 76581972) is 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is COc1cc2c(cc1OC)C(c1ccccc1)C(C)(C(=O)Nc1nccs1)C2.
What is the InChIKey of 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is UDSPSUBPMWJVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-22(20(25)24-21-23-9-10-28-21)13-15-11-17(26-2)18(27-3)12-16(15)19(22)14-7-5-4-6-8-14/h4-12,19H,13H2,1-3H3,(H,23,24,25).
What are the key properties of 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide?
5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-methyl-1-phenyl-N-(1,3-thiazol-2-yl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 76581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).