N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

C24H26N2O4S — CID 55363980

About N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide

N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (PubChem CID 55363980) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• PubChem CID: 55363980
• Molecular Formula: C24H26N2O4S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
• SMILES: CC(CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
• InChI: InChI=1S/C24H26N2O4S/c1-17(12-13-21-9-6-14-30-21)25-24(27)20-8-5-10-22(16-20)31(28,29)26-18(2)15-19-7-3-4-11-23(19)26/h3-11,14,16-18H,12-13,15H2,1-2H3,(H,25,27)
• InChIKey: DDVCBSHFIXLLBS-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 79.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide (CID 55363980) is N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide.

What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is CC(CCc1ccco1)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1.

What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

The InChIKey is DDVCBSHFIXLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-17(12-13-21-9-6-14-30-21)25-24(27)20-8-5-10-22(16-20)31(28,29)26-18(2)15-19-7-3-4-11-23(19)26/h3-11,14,16-18H,12-13,15H2,1-2H3,(H,25,27).

What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide?

N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)butan-2-yl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide is sourced from PubChem (CID 55363980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).