1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C24H26FN5O3S — CID 18004938

IUPAC1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H26FN5O3S/c1-2-34(32,33)30-16-24(20-8-3-4-9-21(20)30)10-12-28(13-11-24)23(31)27-22-15-29(17-26-22)19-7-5-6-18(25)14-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,27,31)
InChIKeyOGCAXBQBSYNZTA-UHFFFAOYSA-N
MW483.57 g/mol
LogP3.75
Rot. Bonds4

About 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide

1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18004938) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18004938
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H26FN5O3S/c1-2-34(32,33)30-16-24(20-8-3-4-9-21(20)30)10-12-28(13-11-24)23(31)27-22-15-29(17-26-22)19-7-5-6-18(25)14-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,27,31)
InChIKeyOGCAXBQBSYNZTA-UHFFFAOYSA-N
XLogP3.75
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18004938) is 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21.
What is the InChIKey of 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is OGCAXBQBSYNZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-2-34(32,33)30-16-24(20-8-3-4-9-21(20)30)10-12-28(13-11-24)23(31)27-22-15-29(17-26-22)19-7-5-6-18(25)14-19/h3-9,14-15,17H,2,10-13,16H2,1H3,(H,27,31).
What are the key properties of 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[1-(3-fluorophenyl)imidazol-4-yl]spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18004938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).