N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

C21H19F2N3O4S — CID 50839145

IUPACN-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H19F2N3O4S/c1-3-20(27)24-21-13(2)25-30-19(21)11-6-14-4-8-16(9-5-14)31(28,29)26-18-10-7-15(22)12-17(18)23/h4-12,26H,3H2,1-2H3,(H,24,27)/b11-6-
InChIKeyZPNKTRRHFHZURR-WDZFZDKYSA-N
MW447.46 g/mol
LogP4.58
Rot. Bonds7

About N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (PubChem CID 50839145) has the molecular formula C21H19F2N3O4S and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
PubChem CID50839145
Molecular FormulaC21H19F2N3O4S
Molecular Weight447.46 g/mol
Exact Mass447.11
IUPAC NameN-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C21H19F2N3O4S/c1-3-20(27)24-21-13(2)25-30-19(21)11-6-14-4-8-16(9-5-14)31(28,29)26-18-10-7-15(22)12-17(18)23/h4-12,26H,3H2,1-2H3,(H,24,27)/b11-6-
InChIKeyZPNKTRRHFHZURR-WDZFZDKYSA-N
XLogP4.58
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide 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 N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide (CID 50839145) is N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is CCC(=O)Nc1c(C)noc1/C=C\c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
The InChIKey is ZPNKTRRHFHZURR-WDZFZDKYSA-N. The full InChI is InChI=1S/C21H19F2N3O4S/c1-3-20(27)24-21-13(2)25-30-19(21)11-6-14-4-8-16(9-5-14)31(28,29)26-18-10-7-15(22)12-17(18)23/h4-12,26H,3H2,1-2H3,(H,24,27)/b11-6-.
What are the key properties of N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide?
N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide has a molecular weight of 447.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 50839145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).