N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide

C21H19FN2O4S — CID 58541260

IUPACN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(C)=O)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C21H19FN2O4S/c1-13(25)24-15-6-7-18(28-21-17(22)4-3-5-19(21)27-2)14(10-15)11-16(26)12-20-23-8-9-29-20/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKeyKMAIEAYVCKSYME-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.40
Rot. Bonds8

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

N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide (PubChem CID 58541260) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide
PubChem CID58541260
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC NameN-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide
SMILESCOc1cccc(F)c1Oc1ccc(NC(C)=O)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C21H19FN2O4S/c1-13(25)24-15-6-7-18(28-21-17(22)4-3-5-19(21)27-2)14(10-15)11-16(26)12-20-23-8-9-29-20/h3-10H,11-12H2,1-2H3,(H,24,25)
InChIKeyKMAIEAYVCKSYME-UHFFFAOYSA-N
XLogP4.40
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-difluorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 118117023
2-(4-dodecoxyphenyl)-N-[3-[(5-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 10348354
2-(3-fluoro-2-tetradecoxyphenyl)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19923072
N-[2-(3-ethyl-1,3-thiazol-3-ium-2-yl)phenyl]-2-(3-fluoro-2-tetradecoxyphenyl)acetamide
CID 19923175
2-(3-fluoro-4-tetradecoxyphenyl)-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19923353
2-(2-dodecoxy-3-fluorophenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide
CID 19923585
2-(3-fluoro-2-tetradecoxyphenoxy)-N-[3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19923728
2-(3-fluoro-4-tetradecoxyphenyl)-N-[2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide
CID 19923788
N-[3-(3-ethyl-1,3-thiazol-3-ium-2-yl)phenyl]-2-(3-fluoro-4-tetradecoxyphenyl)acetamide
CID 19923804
N-(3-fluoro-4-tetradecoxyphenyl)-3-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]benzamide
CID 19923828
2-(3-fluoro-4-tetradecoxyphenyl)-N-[2-[(2-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]acetamide
CID 19923867
2-(3-fluoro-4-tetradecoxyphenyl)-N-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl]acetamide
CID 19924039

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]acetamide?
The IUPAC name of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide (CID 58541260) is N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide.
What is the SMILES notation for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide?
The canonical SMILES for N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide is COc1cccc(F)c1Oc1ccc(NC(C)=O)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]acetamide?
The InChIKey is KMAIEAYVCKSYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-13(25)24-15-6-7-18(28-21-17(22)4-3-5-19(21)27-2)14(10-15)11-16(26)12-20-23-8-9-29-20/h3-10H,11-12H2,1-2H3,(H,24,25).
What are the key properties of N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide?
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]acetamide has a molecular weight of 414.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 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]acetamide is sourced from PubChem (CID 58541260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).