1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C23H26ClN3O5S — CID 20956683

About 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide

1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956683) has the molecular formula C23H26ClN3O5S and a molecular weight of 492.00 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 20956683
• Molecular Formula: C23H26ClN3O5S
• Molecular Weight: 492.00 g/mol
• Exact Mass: 491.13
• IUPAC Name: 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCCc1ccccc1Cl
• InChI: InChI=1S/C23H26ClN3O5S/c1-16(28)27-21-7-6-19(33(30,31)26-10-12-32-13-11-26)14-18(21)15-22(27)23(29)25-9-8-17-4-2-3-5-20(17)24/h2-7,14,22H,8-13,15H2,1H3,(H,25,29)
• InChIKey: LODZNLCQBSLPMN-UHFFFAOYSA-N
• XLogP: 2.00
• 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	492.00
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The IUPAC name of 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956683) is 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

What is the SMILES notation for 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The canonical SMILES for 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCCc1ccccc1Cl.

What is the InChIKey of 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

The InChIKey is LODZNLCQBSLPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S/c1-16(28)27-21-7-6-19(33(30,31)26-10-12-32-13-11-26)14-18(21)15-22(27)23(29)25-9-8-17-4-2-3-5-20(17)24/h2-7,14,22H,8-13,15H2,1H3,(H,25,29).

What are the key properties of 1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide?

1-acetyl-N-[2-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 492.00 g/mol, XLogP of 2.00, 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-(2-chlorophenyl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).