N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

C15H18FN3O4S — CID 86822510

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H18FN3O4S/c1-4-18-24(21,22)11-5-6-13(16)12(7-11)15(20)17-8-14-19-9(2)10(3)23-14/h5-7,18H,4,8H2,1-3H3,(H,17,20)
InChIKeyBLTUWPVBSUOUPE-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.66
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (PubChem CID 86822510) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
PubChem CID86822510
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
SMILESCCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(C)c(C)o2)c1
InChIInChI=1S/C15H18FN3O4S/c1-4-18-24(21,22)11-5-6-13(16)12(7-11)15(20)17-8-14-19-9(2)10(3)23-14/h5-7,18H,4,8H2,1-3H3,(H,17,20)
InChIKeyBLTUWPVBSUOUPE-UHFFFAOYSA-N
XLogP1.66
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide (CID 86822510) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is CCNS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(C)c(C)o2)c1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is BLTUWPVBSUOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-4-18-24(21,22)11-5-6-13(16)12(7-11)15(20)17-8-14-19-9(2)10(3)23-14/h5-7,18H,4,8H2,1-3H3,(H,17,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 355.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(ethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 86822510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).