N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C22H25F2N3O3S — CID 53183522

IUPACN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C22H25F2N3O3S/c23-17-6-7-20(24)16(11-17)12-26-21(28)19-14-27(15-22(19)8-2-1-3-9-22)31(29,30)18-5-4-10-25-13-18/h4-7,10-11,13,19H,1-3,8-9,12,14-15H2,(H,26,28)
InChIKeyUTAQHSZVTWAWBB-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.25
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 53183522) has the molecular formula C22H25F2N3O3S and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID53183522
Molecular FormulaC22H25F2N3O3S
Molecular Weight449.52 g/mol
Exact Mass449.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2
InChIInChI=1S/C22H25F2N3O3S/c23-17-6-7-20(24)16(11-17)12-26-21(28)19-14-27(15-22(19)8-2-1-3-9-22)31(29,30)18-5-4-10-25-13-18/h4-7,10-11,13,19H,1-3,8-9,12,14-15H2,(H,26,28)
InChIKeyUTAQHSZVTWAWBB-UHFFFAOYSA-N
XLogP3.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3161025
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CID 3888077
N-Pyridin-3-ylmethyl-3-(pyrrolidine-1-sulfonyl)-benzamide
CID 683251
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-(pyridin-4-ylmethyl)propanamide
CID 1006973
N-(Pyridin-3-ylmethyl)-1-tosylpiperidine-4-carboxamide
CID 1077698
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(3-pyridinylmethyl)propanamide
CID 1211089
N-(4-Fluoro-phenyl)-4-[(pyridin-3-ylmethyl)-sulfamoyl]-benzamide
CID 1428464
1-(2-fluorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 2578788
1-(phenylsulfonyl)-N-(3-pyridinylmethyl)-3-piperidinecarboxamide
CID 2974262
N-(4-fluorobenzyl)-1-(pyridin-3-ylsulfonyl)piperidine-3-carboxamide
CID 3242560
N-(2-phenylethyl)-1-(pyridin-3-ylsulfonyl)piperidine-3-carboxamide
CID 3242851
4-({[(4-methylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 4156774

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 53183522) is N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCc1cc(F)ccc1F)C1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is UTAQHSZVTWAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3S/c23-17-6-7-20(24)16(11-17)12-26-21(28)19-14-27(15-22(19)8-2-1-3-9-22)31(29,30)18-5-4-10-25-13-18/h4-7,10-11,13,19H,1-3,8-9,12,14-15H2,(H,26,28).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 449.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 53183522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).