2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H18FN3O5S — CID 2663979

IUPAC2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(16-5-3-4-6-17(16)27-2)29(25,26)15-9-7-14(20)8-10-15/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyJBDWLSZRGIJEIG-UHFFFAOYSA-N
MW419.43 g/mol
LogP2.96
Rot. Bonds7

About 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2663979) has the molecular formula C19H18FN3O5S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2663979
Molecular FormulaC19H18FN3O5S
Molecular Weight419.43 g/mol
Exact Mass419.10
IUPAC Name2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(16-5-3-4-6-17(16)27-2)29(25,26)15-9-7-14(20)8-10-15/h3-11H,12H2,1-2H3,(H,21,22,24)
InChIKeyJBDWLSZRGIJEIG-UHFFFAOYSA-N
XLogP2.96
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2663979) is 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JBDWLSZRGIJEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O5S/c1-13-11-18(22-28-13)21-19(24)12-23(16-5-3-4-6-17(16)27-2)29(25,26)15-9-7-14(20)8-10-15/h3-11H,12H2,1-2H3,(H,21,22,24).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 419.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonyl-2-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2663979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).