N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide

C23H31N3O4S — CID 56567319

About N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 56567319) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
• PubChem CID: 56567319
• Molecular Formula: C23H31N3O4S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.20
• IUPAC Name: N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)NC1CCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC1
• InChI: InChI=1S/C23H31N3O4S/c1-3-14-31(28,29)24-19-8-11-25(12-9-19)23(27)20-10-13-30-22(20)16-26-17(2)15-18-6-4-5-7-21(18)26/h4-7,10,13,17,19,24H,3,8-9,11-12,14-16H2,1-2H3
• InChIKey: WCUMCWPYOAKWBS-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 82.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?

The IUPAC name of N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide (CID 56567319) is N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide.

What is the SMILES notation for N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?

The canonical SMILES for N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccoc2CN2c3ccccc3CC2C)CC1.

What is the InChIKey of N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?

The InChIKey is WCUMCWPYOAKWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-14-31(28,29)24-19-8-11-25(12-9-19)23(27)20-10-13-30-22(20)16-26-17(2)15-18-6-4-5-7-21(18)26/h4-7,10,13,17,19,24H,3,8-9,11-12,14-16H2,1-2H3.

What are the key properties of N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide?

N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 445.59 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 56567319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).