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

C30H32N2O4S — CID 25190848

IUPACtert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCCc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1
InChIInChI=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
InChIKeyILNYYRYYUAWVSN-UHFFFAOYSA-N
MW516.66 g/mol
LogP6.10
Rot. Bonds5

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 Nametert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
PubChem CID25190848
Molecular FormulaC30H32N2O4S
Molecular Weight516.66 g/mol
Exact Mass516.21
IUPAC Nametert-butyl 2-[2-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCCc1ccc(S(=O)(=O)NC2Cc3ccc(-c4cc5ccccc5n4C(=O)OC(C)(C)C)cc3C2)cc1
InChIInChI=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
InChIKeyILNYYRYYUAWVSN-UHFFFAOYSA-N
XLogP6.10
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.66
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).