N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

C22H20N2O2S2 — CID 8920919

About N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 8920919) has the molecular formula C22H20N2O2S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 8920919
• Molecular Formula: C22H20N2O2S2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.10
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)CCC2)c1oc2ccccc2c1CSC1=NCCS1
• InChI: InChI=1S/C22H20N2O2S2/c25-21(24-16-9-8-14-4-3-5-15(14)12-16)20-18(13-28-22-23-10-11-27-22)17-6-1-2-7-19(17)26-20/h1-2,6-9,12H,3-5,10-11,13H2,(H,24,25)
• InChIKey: PYTUWZIWXIHSAG-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 8920919) is N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc2c(c1)CCC2)c1oc2ccccc2c1CSC1=NCCS1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?

The InChIKey is PYTUWZIWXIHSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S2/c25-21(24-16-9-8-14-4-3-5-15(14)12-16)20-18(13-28-22-23-10-11-27-22)17-6-1-2-7-19(17)26-20/h1-2,6-9,12H,3-5,10-11,13H2,(H,24,25).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide?

N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8920919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).