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

C24H27N5O3S — CID 18004890

IUPAC1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H27N5O3S/c1-2-33(31,32)29-17-24(20-10-6-7-11-21(20)29)12-14-27(15-13-24)23(30)26-22-16-28(18-25-22)19-8-4-3-5-9-19/h3-11,16,18H,2,12-15,17H2,1H3,(H,26,30)
InChIKeyUOMVXJHAKDORKF-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.61
Rot. Bonds4

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

1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 18004890) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID18004890
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21
InChIInChI=1S/C24H27N5O3S/c1-2-33(31,32)29-17-24(20-10-6-7-11-21(20)29)12-14-27(15-13-24)23(30)26-22-16-28(18-25-22)19-8-4-3-5-9-19/h3-11,16,18H,2,12-15,17H2,1H3,(H,26,30)
InChIKeyUOMVXJHAKDORKF-UHFFFAOYSA-N
XLogP3.61
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.61
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-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 18004890) is 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21.
What is the InChIKey of 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is UOMVXJHAKDORKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-2-33(31,32)29-17-24(20-10-6-7-11-21(20)29)12-14-27(15-13-24)23(30)26-22-16-28(18-25-22)19-8-4-3-5-9-19/h3-11,16,18H,2,12-15,17H2,1H3,(H,26,30).
What are the key properties of 1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
1-ethylsulfonyl-N-(1-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.61, 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-phenylimidazol-4-yl)spiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 18004890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).