1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C21H20F2N4O4S2 — CID 50799992

IUPAC1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C21H20F2N4O4S2/c1-13-19(18(31-26-13)5-3-14-2-4-16(22)12-17(14)23)33(29,30)27-9-6-15(7-10-27)20(28)25-21-24-8-11-32-21/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,24,25,28)/b5-3+
InChIKeyMCJOGJXGOFNZTK-HWKANZROSA-N
MW494.55 g/mol
LogP3.93
Rot. Bonds6

About 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 50799992) has the molecular formula C21H20F2N4O4S2 and a molecular weight of 494.55 g/mol. Its IUPAC name is 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID50799992
Molecular FormulaC21H20F2N4O4S2
Molecular Weight494.55 g/mol
Exact Mass494.09
IUPAC Name1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C21H20F2N4O4S2/c1-13-19(18(31-26-13)5-3-14-2-4-16(22)12-17(14)23)33(29,30)27-9-6-15(7-10-27)20(28)25-21-24-8-11-32-21/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,24,25,28)/b5-3+
InChIKeyMCJOGJXGOFNZTK-HWKANZROSA-N
XLogP3.93
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 50799992) is 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1noc(/C=C/c2ccc(F)cc2F)c1S(=O)(=O)N1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is MCJOGJXGOFNZTK-HWKANZROSA-N. The full InChI is InChI=1S/C21H20F2N4O4S2/c1-13-19(18(31-26-13)5-3-14-2-4-16(22)12-17(14)23)33(29,30)27-9-6-15(7-10-27)20(28)25-21-24-8-11-32-21/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,24,25,28)/b5-3+.
What are the key properties of 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(E)-2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50799992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).