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

C24H28N2O4S — CID 25190869

IUPACtert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCCS(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C24H28N2O4S/c1-5-31(28,29)25-20-13-16-10-11-18(12-19(16)14-20)22-15-17-8-6-7-9-21(17)26(22)23(27)30-24(2,3)4/h6-12,15,20,25H,5,13-14H2,1-4H3
InChIKeyGUQBISCYWXXXQL-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.50
Rot. Bonds4

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

tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (PubChem CID 25190869) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
PubChem CID25190869
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Nametert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCCS(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1
InChIInChI=1S/C24H28N2O4S/c1-5-31(28,29)25-20-13-16-10-11-18(12-19(16)14-20)22-15-17-8-6-7-9-21(17)26(22)23(27)30-24(2,3)4/h6-12,15,20,25H,5,13-14H2,1-4H3
InChIKeyGUQBISCYWXXXQL-UHFFFAOYSA-N
XLogP4.50
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (CID 25190869) is tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is CCS(=O)(=O)NC1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1.
What is the InChIKey of tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The InChIKey is GUQBISCYWXXXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-5-31(28,29)25-20-13-16-10-11-18(12-19(16)14-20)22-15-17-8-6-7-9-21(17)26(22)23(27)30-24(2,3)4/h6-12,15,20,25H,5,13-14H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate has a molecular weight of 440.57 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(ethylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is sourced from PubChem (CID 25190869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).