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

C21H20FN3O5S — CID 46394096

IUPACN-[5-[(Z)-2-[3-[(4-fluorophenyl)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)cc1
InChIInChI=1S/C21H20FN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-
InChIKeyYGYGSXMBIWASEV-WZUFQYTHSA-N
MW445.47 g/mol
LogP4.06
Rot. Bonds7

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

N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394096) has the molecular formula C21H20FN3O5S and a molecular weight of 445.47 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394096
Molecular FormulaC21H20FN3O5S
Molecular Weight445.47 g/mol
Exact Mass445.11
IUPAC NameN-[5-[(Z)-2-[3-[(4-fluorophenyl)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)cc1
InChIInChI=1S/C21H20FN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-
InChIKeyYGYGSXMBIWASEV-WZUFQYTHSA-N
XLogP4.06
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 54.06
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-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394096) is N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-[(4-fluorophenyl)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)cc1.
What is the InChIKey of N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is YGYGSXMBIWASEV-WZUFQYTHSA-N. The full InChI is InChI=1S/C21H20FN3O5S/c1-13-21(23-14(2)26)19(30-24-13)11-5-15-4-10-18(29-3)20(12-15)31(27,28)25-17-8-6-16(22)7-9-17/h4-12,25H,1-3H3,(H,23,26)/b11-5-.
What are the key properties of N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 445.47 g/mol, XLogP of 4.06, 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-[(4-fluorophenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).