2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C25H32N2O3S — CID 60514088

About 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 60514088) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

• Compound Name: 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
• PubChem CID: 60514088
• Molecular Formula: C25H32N2O3S
• Molecular Weight: 440.61 g/mol
• Exact Mass: 440.21
• IUPAC Name: 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
• SMILES: CCN(C(=O)CN(Cc1ccc(C)cc1)C1CCc2ccccc21)C1CCS(=O)(=O)C1
• InChI: InChI=1S/C25H32N2O3S/c1-3-27(22-14-15-31(29,30)18-22)25(28)17-26(16-20-10-8-19(2)9-11-20)24-13-12-21-6-4-5-7-23(21)24/h4-11,22,24H,3,12-18H2,1-2H3
• InChIKey: BSZZYYPLXNQFME-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 57.69 Ų
• 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	3.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?

The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 60514088) is 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?

The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CN(Cc1ccc(C)cc1)C1CCc2ccccc21)C1CCS(=O)(=O)C1.

What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?

The InChIKey is BSZZYYPLXNQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-3-27(22-14-15-31(29,30)18-22)25(28)17-26(16-20-10-8-19(2)9-11-20)24-13-12-21-6-4-5-7-23(21)24/h4-11,22,24H,3,12-18H2,1-2H3.

What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?

2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 440.61 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 60514088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).