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

C23H34N4O5S — CID 20956667

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

1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 20956667) has the molecular formula C23H34N4O5S and a molecular weight of 478.62 g/mol. Its IUPAC name is 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• PubChem CID: 20956667
• Molecular Formula: C23H34N4O5S
• Molecular Weight: 478.62 g/mol
• Exact Mass: 478.22
• IUPAC Name: 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCCN1CCCCCC1
• InChI: InChI=1S/C23H34N4O5S/c1-18(28)27-21-7-6-20(33(30,31)26-12-14-32-15-13-26)16-19(21)17-22(27)23(29)24-8-11-25-9-4-2-3-5-10-25/h6-7,16,22H,2-5,8-15,17H2,1H3,(H,24,29)
• InChIKey: QETGZJGSCQQNMG-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.62
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 20956667) is 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

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

The canonical SMILES for 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCOCC3)cc2CC1C(=O)NCCN1CCCCCC1.

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

The InChIKey is QETGZJGSCQQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5S/c1-18(28)27-21-7-6-20(33(30,31)26-12-14-32-15-13-26)16-19(21)17-22(27)23(29)24-8-11-25-9-4-2-3-5-10-25/h6-7,16,22H,2-5,8-15,17H2,1H3,(H,24,29).

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

1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[2-(azepan-1-yl)ethyl]-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 20956667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).