tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

C30H32N2O4S — CID 25190848

About tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (PubChem CID 25190848) has the molecular formula C30H32N2O4S and a molecular weight of 516.66 g/mol. Its IUPAC name is tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
• PubChem CID: 25190848
• Molecular Formula: C30H32N2O4S
• Molecular Weight: 516.66 g/mol
• Exact Mass: 516.21
• IUPAC Name: tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
• SMILES: CCc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1
• InChI: InChI=1S/C30H32N2O4S/c1-5-20-10-14-26(15-11-20)37(34,35)31-25-17-21-12-13-23(16-24(21)18-25)28-19-22-8-6-7-9-27(22)32(28)29(33)36-30(2,3)4/h6-16,19,25,31H,5,17-18H2,1-4H3
• InChIKey: ILNYYRYYUAWVSN-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 77.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.66
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?

The IUPAC name of tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (CID 25190848) is tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?

The canonical SMILES for tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is CCc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1.

What is the InChIKey of tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?

The InChIKey is ILNYYRYYUAWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4S/c1-5-20-10-14-26(15-11-20)37(34,35)31-25-17-21-12-13-23(16-24(21)18-25)28-19-22-8-6-7-9-27(22)32(28)29(33)36-30(2,3)4/h6-16,19,25,31H,5,17-18H2,1-4H3.

What are the key properties of tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?

tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate has a molecular weight of 516.66 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is sourced from PubChem (CID 25190848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).