N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide

C21H25N3O4S2 — CID 55607363

About N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 55607363) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide
• PubChem CID: 55607363
• Molecular Formula: C21H25N3O4S2
• Molecular Weight: 447.58 g/mol
• Exact Mass: 447.13
• IUPAC Name: N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide
• SMILES: CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C(=O)c1cccs1
• InChI: InChI=1S/C21H25N3O4S2/c1-22(21(26)19-6-5-13-29-19)15-20(25)24-12-9-16-14-17(7-8-18(16)24)30(27,28)23-10-3-2-4-11-23/h5-8,13-14H,2-4,9-12,15H2,1H3
• InChIKey: XNEQXQJXRBUYPD-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 78.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.58
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide?

The IUPAC name of N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide (CID 55607363) is N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide.

What is the SMILES notation for N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide?

The canonical SMILES for N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide is CN(CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)C(=O)c1cccs1.

What is the InChIKey of N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide?

The InChIKey is XNEQXQJXRBUYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-22(21(26)19-6-5-13-29-19)15-20(25)24-12-9-16-14-17(7-8-18(16)24)30(27,28)23-10-3-2-4-11-23/h5-8,13-14H,2-4,9-12,15H2,1H3.

What are the key properties of N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide?

N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55607363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).