3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide

C25H32N2O3S — CID 55798765

About 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 55798765) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
• PubChem CID: 55798765
• Molecular Formula: C25H32N2O3S
• Molecular Weight: 440.61 g/mol
• Exact Mass: 440.21
• IUPAC Name: 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
• SMILES: CC1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2)C1
• InChI: InChI=1S/C25H32N2O3S/c1-19-4-3-14-27(17-19)18-20-7-10-23(11-8-20)26-25(28)13-15-31(29,30)24-12-9-21-5-2-6-22(21)16-24/h7-12,16,19H,2-6,13-15,17-18H2,1H3,(H,26,28)
• InChIKey: FAQPANHAMYEOCG-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 66.48 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	440.61
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?

The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 55798765) is 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)cc2)C1.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?

The InChIKey is FAQPANHAMYEOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-19-4-3-14-27(17-19)18-20-7-10-23(11-8-20)26-25(28)13-15-31(29,30)24-12-9-21-5-2-6-22(21)16-24/h7-12,16,19H,2-6,13-15,17-18H2,1H3,(H,26,28).

What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 440.61 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 55798765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).