2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide

C28H32N2O2S — CID 26198862

About 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide

2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 26198862) has the molecular formula C28H32N2O2S and a molecular weight of 460.64 g/mol. Its IUPAC name is 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

• Compound Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide
• PubChem CID: 26198862
• Molecular Formula: C28H32N2O2S
• Molecular Weight: 460.64 g/mol
• Exact Mass: 460.22
• IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide
• SMILES: O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2)NC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C28H32N2O2S/c31-26(30-28-14-18-10-19(15-28)12-20(11-18)16-28)17-33-25-7-2-1-6-24(25)27(32)29-23-9-8-21-4-3-5-22(21)13-23/h1-2,6-9,13,18-20H,3-5,10-12,14-17H2,(H,29,32)(H,30,31)
• InChIKey: OQAGTHJNCZPKLH-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.64
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide?

The IUPAC name of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide (CID 26198862) is 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide.

What is the SMILES notation for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide?

The canonical SMILES for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide is O=C(CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2)NC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide?

The InChIKey is OQAGTHJNCZPKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2S/c31-26(30-28-14-18-10-19(15-28)12-20(11-18)16-28)17-33-25-7-2-1-6-24(25)27(32)29-23-9-8-21-4-3-5-22(21)13-23/h1-2,6-9,13,18-20H,3-5,10-12,14-17H2,(H,29,32)(H,30,31).

What are the key properties of 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide?

2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 460.64 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 26198862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).