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

C25H23FN4O6S3 — CID 58541244

IUPACN-[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
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2sc(NC(C)=O)nc2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H23FN4O6S3/c1-14-24(38-25(28-14)29-15(2)31)39(33,34)30-17-7-8-20(36-23-19(26)5-4-6-21(23)35-3)16(11-17)12-18(32)13-22-27-9-10-37-22/h4-11,30H,12-13H2,1-3H3,(H,28,29,31)
InChIKeyDNECPJQOHUOUIQ-UHFFFAOYSA-N
MW590.68 g/mol
LogP4.96
Rot. Bonds11

About 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

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 (PubChem CID 58541244) has the molecular formula C25H23FN4O6S3 and a molecular weight of 590.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID58541244
Molecular FormulaC25H23FN4O6S3
Molecular Weight590.68 g/mol
Exact Mass590.08
IUPAC NameN-[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
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2sc(NC(C)=O)nc2C)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C25H23FN4O6S3/c1-14-24(38-25(28-14)29-15(2)31)39(33,34)30-17-7-8-20(36-23-19(26)5-4-6-21(23)35-3)16(11-17)12-18(32)13-22-27-9-10-37-22/h4-11,30H,12-13H2,1-3H3,(H,28,29,31)
InChIKeyDNECPJQOHUOUIQ-UHFFFAOYSA-N
XLogP4.96
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.68
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 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]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58541163
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-1-methylsulfonylmethanesulfonamide
CID 58541201
1-[2-(2-fluoro-6-methoxyphenoxy)-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541217
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-6-morpholin-4-ylpyridine-3-sulfonamide
CID 58541232
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]propane-1-sulfonamide
CID 58541242
4-acetyl-N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]benzenesulfonamide
CID 58541257
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide
CID 58541260
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]-1,2-dimethylimidazole-4-sulfonamide
CID 58541430
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2sc(NC(C)=O)nc2C)cc1CC(=O)Cc1nccs1.
What is the InChIKey of 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?
The InChIKey is DNECPJQOHUOUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O6S3/c1-14-24(38-25(28-14)29-15(2)31)39(33,34)30-17-7-8-20(36-23-19(26)5-4-6-21(23)35-3)16(11-17)12-18(32)13-22-27-9-10-37-22/h4-11,30H,12-13H2,1-3H3,(H,28,29,31).
What are the key properties of 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?
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 has a molecular weight of 590.68 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58541244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).