N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

C14H16FN3O4S — CID 113147393

IUPACN-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCc1cc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)no1
InChIInChI=1S/C14H16FN3O4S/c1-10-9-13(17-22-10)18(23(2,20)21)8-7-14(19)16-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyADKYSZMBIBRUGG-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.92
Rot. Bonds6

About N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide

N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (PubChem CID 113147393) has the molecular formula C14H16FN3O4S and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
PubChem CID113147393
Molecular FormulaC14H16FN3O4S
Molecular Weight341.36 g/mol
Exact Mass341.08
IUPAC NameN-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
SMILESCc1cc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)no1
InChIInChI=1S/C14H16FN3O4S/c1-10-9-13(17-22-10)18(23(2,20)21)8-7-14(19)16-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChIKeyADKYSZMBIBRUGG-UHFFFAOYSA-N
XLogP1.92
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113147417
N-(2-tert-butylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147391
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-fluorophenyl)propanamide
CID 113142084
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072565
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113142554
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide (CID 113147393) is N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is Cc1cc(N(CCC(=O)Nc2ccccc2F)S(C)(=O)=O)no1.
What is the InChIKey of N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
The InChIKey is ADKYSZMBIBRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O4S/c1-10-9-13(17-22-10)18(23(2,20)21)8-7-14(19)16-12-6-4-3-5-11(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide?
N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide has a molecular weight of 341.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide is sourced from PubChem (CID 113147393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).