1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

C19H23N5O4S — CID 91629998

IUPAC1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn1
InChIInChI=1S/C19H23N5O4S/c25-18-7-4-9-22(18)11-15-12-24(21-20-15)16-13-23(14-16)19(26)8-10-29(27,28)17-5-2-1-3-6-17/h1-3,5-6,12,16H,4,7-11,13-14H2
InChIKeyQNJZKPDIIXOTMH-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.65
Rot. Bonds7

About 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one

1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91629998) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
PubChem CID91629998
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1cn(C2CN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn1
InChIInChI=1S/C19H23N5O4S/c25-18-7-4-9-22(18)11-15-12-24(21-20-15)16-13-23(14-16)19(26)8-10-29(27,28)17-5-2-1-3-6-17/h1-3,5-6,12,16H,4,7-11,13-14H2
InChIKeyQNJZKPDIIXOTMH-UHFFFAOYSA-N
XLogP0.65
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-N-(2-oxo-2-(3-(4-((2-oxopyrrolidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)ethyl)benzenesulfonamide
CID 91630002
1-((1-(1-((2-(trifluoromethyl)phenyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 91630039
(E)-1-((1-(1-(styrylsulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 91630029
1-((1-(1-((2,6-difluorophenyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 91630033
1-((1-(1-((2-fluorobenzyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 91630042
1-((1-(1-(2-((4-fluorophenyl)thio)acetyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 92118575
2-fluoro-N-(3-oxo-3-(3-(4-((2-oxopyrrolidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)propyl)benzenesulfonamide
CID 92118610
3-fluoro-N-(3-oxo-3-(3-(4-((2-oxopyrrolidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)propyl)benzenesulfonamide
CID 92118614
2,6-difluoro-N-(3-oxo-3-(3-(4-((2-oxopyrrolidin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)azetidin-1-yl)propyl)benzenesulfonamide
CID 92118615
1-((1-(1-((2-fluorophenyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 92118853
1-((1-(1-((4-fluorophenyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 92118854
1-((1-(1-((4-fluoro-2-methylphenyl)sulfonyl)azetidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)pyrrolidin-2-one
CID 92118862

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one (CID 91629998) is 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1cn(C2CN(C(=O)CCS(=O)(=O)c3ccccc3)C2)nn1.
What is the InChIKey of 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is QNJZKPDIIXOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c25-18-7-4-9-22(18)11-15-12-24(21-20-15)16-13-23(14-16)19(26)8-10-29(27,28)17-5-2-1-3-6-17/h1-3,5-6,12,16H,4,7-11,13-14H2.
What are the key properties of 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 417.49 g/mol, XLogP of 0.65, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-[3-(benzenesulfonyl)propanoyl]azetidin-3-yl]triazol-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91629998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).