4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide

C27H28N4O4S — CID 11533497

IUPAC4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(OC3CCN(C(N)=O)CC3)cc2CC1c1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C27H28N4O4S/c1-2-36(33,34)31-25-8-7-24(35-23-9-11-30(12-10-23)27(29)32)15-22(25)16-26(31)20-6-5-19-4-3-18(17-28)13-21(19)14-20/h3-8,13-15,23,26H,2,9-12,16H2,1H3,(H2,29,32)
InChIKeyKHNXLNYSUDCIGF-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.09
Rot. Bonds5

About 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide

4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide (PubChem CID 11533497) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide
PubChem CID11533497
Molecular FormulaC27H28N4O4S
Molecular Weight504.61 g/mol
Exact Mass504.18
IUPAC Name4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide
SMILESCCS(=O)(=O)N1c2ccc(OC3CCN(C(N)=O)CC3)cc2CC1c1ccc2ccc(C#N)cc2c1
InChIInChI=1S/C27H28N4O4S/c1-2-36(33,34)31-25-8-7-24(35-23-9-11-30(12-10-23)27(29)32)15-22(25)16-26(31)20-6-5-19-4-3-18(17-28)13-21(19)14-20/h3-8,13-15,23,26H,2,9-12,16H2,1H3,(H2,29,32)
InChIKeyKHNXLNYSUDCIGF-UHFFFAOYSA-N
XLogP4.09
TPSA116.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide?
The IUPAC name of 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide (CID 11533497) is 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide is CCS(=O)(=O)N1c2ccc(OC3CCN(C(N)=O)CC3)cc2CC1c1ccc2ccc(C#N)cc2c1.
What is the InChIKey of 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide?
The InChIKey is KHNXLNYSUDCIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-2-36(33,34)31-25-8-7-24(35-23-9-11-30(12-10-23)27(29)32)15-22(25)16-26(31)20-6-5-19-4-3-18(17-28)13-21(19)14-20/h3-8,13-15,23,26H,2,9-12,16H2,1H3,(H2,29,32).
What are the key properties of 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide?
4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(7-cyanonaphthalen-2-yl)-1-ethylsulfonyl-2,3-dihydroindol-5-yl]oxy]piperidine-1-carboxamide is sourced from PubChem (CID 11533497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).