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

C22H22FN3O5S — CID 46394137

IUPACN-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C22H22FN3O5S/c1-13-5-8-17(12-18(13)23)26-32(28,29)21-11-16(6-9-19(21)30-4)7-10-20-22(24-15(3)27)14(2)25-31-20/h5-12,26H,1-4H3,(H,24,27)/b10-7-
InChIKeyIBIDKLPHEQIXTH-YFHOEESVSA-N
MW459.50 g/mol
LogP4.37
Rot. Bonds7

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

N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (PubChem CID 46394137) has the molecular formula C22H22FN3O5S and a molecular weight of 459.50 g/mol. Its IUPAC name is N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
PubChem CID46394137
Molecular FormulaC22H22FN3O5S
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC NameN-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
SMILESCOc1ccc(/C=C\c2onc(C)c2NC(C)=O)cc1S(=O)(=O)Nc1ccc(C)c(F)c1
InChIInChI=1S/C22H22FN3O5S/c1-13-5-8-17(12-18(13)23)26-32(28,29)21-11-16(6-9-19(21)30-4)7-10-20-22(24-15(3)27)14(2)25-31-20/h5-12,26H,1-4H3,(H,24,27)/b10-7-
InChIKeyIBIDKLPHEQIXTH-YFHOEESVSA-N
XLogP4.37
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.37
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-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide (CID 46394137) is N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)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(C)c(F)c1.
What is the InChIKey of N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
The InChIKey is IBIDKLPHEQIXTH-YFHOEESVSA-N. The full InChI is InChI=1S/C22H22FN3O5S/c1-13-5-8-17(12-18(13)23)26-32(28,29)21-11-16(6-9-19(21)30-4)7-10-20-22(24-15(3)27)14(2)25-31-20/h5-12,26H,1-4H3,(H,24,27)/b10-7-.
What are the key properties of N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide?
N-[5-[(Z)-2-[3-[(3-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide has a molecular weight of 459.50 g/mol, XLogP of 4.37, 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-fluoro-4-methylphenyl)sulfamoyl]-4-methoxyphenyl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 46394137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).