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

C21H19F2N3O5S — CID 46394140

IUPACN-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O5S/c1-12-21(24-13(2)27)19(31-25-12)9-5-14-4-8-18(30-3)20(10-14)32(28,29)26-15-6-7-16(22)17(23)11-15/h4-11,26H,1-3H3,(H,24,27)/b9-5-
InChIKeyZLVOJJPAPSUJBE-UITAMQMPSA-N
MW463.46 g/mol
LogP4.20
Rot. Bonds7

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

N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394140) has the molecular formula C21H19F2N3O5S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394140
Molecular FormulaC21H19F2N3O5S
Molecular Weight463.46 g/mol
Exact Mass463.10
IUPAC NameN-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H19F2N3O5S/c1-12-21(24-13(2)27)19(31-25-12)9-5-14-4-8-18(30-3)20(10-14)32(28,29)26-15-6-7-16(22)17(23)11-15/h4-11,26H,1-3H3,(H,24,27)/b9-5-
InChIKeyZLVOJJPAPSUJBE-UITAMQMPSA-N
XLogP4.20
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394140) is N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is COc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is ZLVOJJPAPSUJBE-UITAMQMPSA-N. The full InChI is InChI=1S/C21H19F2N3O5S/c1-12-21(24-13(2)27)19(31-25-12)9-5-14-4-8-18(30-3)20(10-14)32(28,29)26-15-6-7-16(22)17(23)11-15/h4-11,26H,1-3H3,(H,24,27)/b9-5-.
What are the key properties of N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 463.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).