(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C22H35N3O4S — CID 51887858

About (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 51887858) has the molecular formula C22H35N3O4S and a molecular weight of 437.61 g/mol. Its IUPAC name is (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
• PubChem CID: 51887858
• Molecular Formula: C22H35N3O4S
• Molecular Weight: 437.61 g/mol
• Exact Mass: 437.23
• IUPAC Name: (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
• SMILES: CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)N1CCOCC1
• InChI: InChI=1S/C22H35N3O4S/c1-5-17(6-2)21(24-9-11-29-12-10-24)15-23-22(26)18-7-8-20-19(14-18)13-16(3)25(20)30(4,27)28/h7-8,14,16-17,21H,5-6,9-13,15H2,1-4H3,(H,23,26)/t16-,21+/m1/s1
• InChIKey: URAASHRYDMITRV-IERDGZPVSA-N
• XLogP: 2.26
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.61
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?

The IUPAC name of (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 51887858) is (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)N1CCOCC1.

What is the InChIKey of (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?

The InChIKey is URAASHRYDMITRV-IERDGZPVSA-N. The full InChI is InChI=1S/C22H35N3O4S/c1-5-17(6-2)21(24-9-11-29-12-10-24)15-23-22(26)18-7-8-20-19(14-18)13-16(3)25(20)30(4,27)28/h7-8,14,16-17,21H,5-6,9-13,15H2,1-4H3,(H,23,26)/t16-,21+/m1/s1.

What are the key properties of (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?

(2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 51887858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).