1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C22H27N3O5S — CID 20956585

About 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956585) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 20956585
• Molecular Formula: C22H27N3O5S
• Molecular Weight: 445.54 g/mol
• Exact Mass: 445.17
• IUPAC Name: 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)NCc1ccc(C)o1
• InChI: InChI=1S/C22H27N3O5S/c1-15-6-7-18(30-15)14-23-22(27)21-13-17-12-19(8-9-20(17)25(21)16(2)26)31(28,29)24-10-4-3-5-11-24/h6-9,12,21H,3-5,10-11,13-14H2,1-2H3,(H,23,27)
• InChIKey: BKSYHFUWUAHIPR-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 99.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.54
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The IUPAC name of 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956585) is 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

What is the SMILES notation for 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The canonical SMILES for 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)NCc1ccc(C)o1.

What is the InChIKey of 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The InChIKey is BKSYHFUWUAHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15-6-7-18(30-15)14-23-22(27)21-13-17-12-19(8-9-20(17)25(21)16(2)26)31(28,29)24-10-4-3-5-11-24/h6-9,12,21H,3-5,10-11,13-14H2,1-2H3,(H,23,27).

What are the key properties of 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[(5-methylfuran-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).