4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine

C24H24N4O4S2 — CID 4821489

IUPAC4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C24H24N4O4S2/c29-34(30,27-11-14-31-15-12-27)21-9-4-8-20(16-21)18-33-24-26-25-23(22-10-5-13-32-22)28(24)17-19-6-2-1-3-7-19/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeyILYPKZDTOBARDD-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.90
Rot. Bonds8

About 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine

4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine (PubChem CID 4821489) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
PubChem CID4821489
Molecular FormulaC24H24N4O4S2
Molecular Weight496.61 g/mol
Exact Mass496.12
IUPAC Name4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C24H24N4O4S2/c29-34(30,27-11-14-31-15-12-27)21-9-4-8-20(16-21)18-33-24-26-25-23(22-10-5-13-32-22)28(24)17-19-6-2-1-3-7-19/h1-10,13,16H,11-12,14-15,17-18H2
InChIKeyILYPKZDTOBARDD-UHFFFAOYSA-N
XLogP3.90
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine with MolForge

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Related Compounds

3-[[4-benzyl-5-(3-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 42985887
4-benzyl-3-[[4-(difluoromethylsulfonyl)phenyl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 112802870
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
4-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7665865
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3902311
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-morpholin-4-yl-2-pyridinyl)acetamide
CID 55549248
4-[3-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 17399167
4-[3-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine
CID 17463516
4-[3-[(2,5-dimethylphenyl)sulfanylmethyl]phenyl]sulfonylmorpholine
CID 7458388
4-benzyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazole
CID 112774226
2-[[4-(furan-2-ylmethyl)-5-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 3181074
4-benzyl-3-(furan-2-yl)-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,2,4-triazole
CID 8010324

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine (CID 4821489) is 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine is O=S(=O)(c1cccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine?
The InChIKey is ILYPKZDTOBARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c29-34(30,27-11-14-31-15-12-27)21-9-4-8-20(16-21)18-33-24-26-25-23(22-10-5-13-32-22)28(24)17-19-6-2-1-3-7-19/h1-10,13,16H,11-12,14-15,17-18H2.
What are the key properties of 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine?
4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine has a molecular weight of 496.61 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 4821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).