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

C24H29N3O5S — CID 20956571

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

1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956571) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 20956571
• Molecular Formula: C24H29N3O5S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.18
• IUPAC Name: 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• SMILES: COc1ccccc1CNC(=O)C1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(C)=O
• InChI: InChI=1S/C24H29N3O5S/c1-17(28)27-21-11-10-20(33(30,31)26-12-6-3-7-13-26)14-19(21)15-22(27)24(29)25-16-18-8-4-5-9-23(18)32-2/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3,(H,25,29)
• InChIKey: XGHSGRXTMINYEM-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 96.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956571) is 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

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

The canonical SMILES for 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is COc1ccccc1CNC(=O)C1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(C)=O.

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

The InChIKey is XGHSGRXTMINYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17(28)27-21-11-10-20(33(30,31)26-12-6-3-7-13-26)14-19(21)15-22(27)24(29)25-16-18-8-4-5-9-23(18)32-2/h4-5,8-11,14,22H,3,6-7,12-13,15-16H2,1-2H3,(H,25,29).

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

1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[(2-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).