N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C24H22FN3O6S2 — CID 58541163

IUPACN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C24H22FN3O6S2/c1-14-24(15(2)34-27-14)36(30,31)28-17-7-8-20(33-23-19(25)5-4-6-21(23)32-3)16(11-17)12-18(29)13-22-26-9-10-35-22/h4-11,28H,12-13H2,1-3H3
InChIKeyFNBOPWLEVCQETC-UHFFFAOYSA-N
MW531.59 g/mol
LogP4.84
Rot. Bonds10

About N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 58541163) has the molecular formula C24H22FN3O6S2 and a molecular weight of 531.59 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID58541163
Molecular FormulaC24H22FN3O6S2
Molecular Weight531.59 g/mol
Exact Mass531.09
IUPAC NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C24H22FN3O6S2/c1-14-24(15(2)34-27-14)36(30,31)28-17-7-8-20(33-23-19(25)5-4-6-21(23)32-3)16(11-17)12-18(29)13-22-26-9-10-35-22/h4-11,28H,12-13H2,1-3H3
InChIKeyFNBOPWLEVCQETC-UHFFFAOYSA-N
XLogP4.84
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-methylsulfonylmethanesulfonamide
CID 58541201
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide
CID 58541242
N-[5-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 58541244
4-acetyl-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]benzenesulfonamide
CID 58541257
N-[4-[[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]sulfamoyl]phenyl]acetamide
CID 58541270
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 58541350
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-phenylmethanesulfonamide
CID 58541436
2,2,2-trifluoro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]ethanesulfonamide
CID 58541438
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-(1,3-oxazol-5-yl)pyridine-3-sulfonamide
CID 58541478
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]methanesulfonamide
CID 58541484
4-cyano-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]benzenesulfonamide
CID 58541496
5-chloro-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 58541508

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 58541163) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1CC(=O)Cc1nccs1.
What is the InChIKey of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is FNBOPWLEVCQETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O6S2/c1-14-24(15(2)34-27-14)36(30,31)28-17-7-8-20(33-23-19(25)5-4-6-21(23)32-3)16(11-17)12-18(29)13-22-26-9-10-35-22/h4-11,28H,12-13H2,1-3H3.
What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 531.59 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 58541163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).