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

C20H24N4O5S — CID 20956578

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

1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956578) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 20956578
• Molecular Formula: C20H24N4O5S
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.15
• IUPAC Name: 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)Nc1cc(C)on1
• InChI: InChI=1S/C20H24N4O5S/c1-13-10-19(22-29-13)21-20(26)18-12-15-11-16(6-7-17(15)24(18)14(2)25)30(27,28)23-8-4-3-5-9-23/h6-7,10-11,18H,3-5,8-9,12H2,1-2H3,(H,21,22,26)
• InChIKey: OFQZDTUCJJGAJU-UHFFFAOYSA-N
• XLogP: 2.07
• TPSA: 112.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956578) is 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

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

The canonical SMILES for 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C(=O)Nc1cc(C)on1.

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

The InChIKey is OFQZDTUCJJGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-13-10-19(22-29-13)21-20(26)18-12-15-11-16(6-7-17(15)24(18)14(2)25)30(27,28)23-8-4-3-5-9-23/h6-7,10-11,18H,3-5,8-9,12H2,1-2H3,(H,21,22,26).

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

1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).