N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide

C20H20FN3O4S2 — CID 118754747

IUPACN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C20H20FN3O4S2/c1-13-18(11-22-19(25)12-29-2)23-20(28-13)16-8-3-4-9-17(16)24-30(26,27)15-7-5-6-14(21)10-15/h3-10,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyYNAAWAXUQNZEQT-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.57
Rot. Bonds8

About N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide (PubChem CID 118754747) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
PubChem CID118754747
Molecular FormulaC20H20FN3O4S2
Molecular Weight449.53 g/mol
Exact Mass449.09
IUPAC NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C20H20FN3O4S2/c1-13-18(11-22-19(25)12-29-2)23-20(28-13)16-8-3-4-9-17(16)24-30(26,27)15-7-5-6-14(21)10-15/h3-10,24H,11-12H2,1-2H3,(H,22,25)
InChIKeyYNAAWAXUQNZEQT-UHFFFAOYSA-N
XLogP3.57
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide with MolForge

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Related Compounds

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
CID 42170789
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
CID 42276741
(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 42165505
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 55645161
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 42170798
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-(2,4-dimethyl-1,3-thiazol-5-yl)acetamide
CID 26341266
2-(4-acetylphenoxy)-N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 26362359
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide (CID 118754747) is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide is CSCC(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C.
What is the InChIKey of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide?
The InChIKey is YNAAWAXUQNZEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c1-13-18(11-22-19(25)12-29-2)23-20(28-13)16-8-3-4-9-17(16)24-30(26,27)15-7-5-6-14(21)10-15/h3-10,24H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide?
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide has a molecular weight of 449.53 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 118754747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).