1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

C23H25N3O4S2 — CID 31892479

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (PubChem CID 31892479) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• PubChem CID: 31892479
• Molecular Formula: C23H25N3O4S2
• Molecular Weight: 471.60 g/mol
• Exact Mass: 471.13
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
• SMILES: COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)nc12
• InChI: InChI=1S/C23H25N3O4S2/c1-30-19-6-3-7-20-21(19)24-23(31-20)25-22(27)16-10-12-26(13-11-16)32(28,29)18-9-8-15-4-2-5-17(15)14-18/h3,6-9,14,16H,2,4-5,10-13H2,1H3,(H,24,25,27)
• InChIKey: CIIRDJHUILKJFU-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide (CID 31892479) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is COc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)CCC5)CC3)nc12.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

The InChIKey is CIIRDJHUILKJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-30-19-6-3-7-20-21(19)24-23(31-20)25-22(27)16-10-12-26(13-11-16)32(28,29)18-9-8-15-4-2-5-17(15)14-18/h3,6-9,14,16H,2,4-5,10-13H2,1H3,(H,24,25,27).

What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide?

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 31892479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).