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

C27H21FN4O6S2 — CID 58541478

IUPACN-[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
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)nc2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C27H21FN4O6S2/c1-36-24-4-2-3-21(28)27(24)38-23-8-5-18(11-17(23)12-19(33)13-26-30-9-10-39-26)32-40(34,35)20-6-7-22(31-14-20)25-15-29-16-37-25/h2-11,14-16,32H,12-13H2,1H3
InChIKeyFXZWDDWZOZREGU-UHFFFAOYSA-N
MW580.62 g/mol
LogP5.29
Rot. Bonds11

About 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

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 (PubChem CID 58541478) has the molecular formula C27H21FN4O6S2 and a molecular weight of 580.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID58541478
Molecular FormulaC27H21FN4O6S2
Molecular Weight580.62 g/mol
Exact Mass580.09
IUPAC NameN-[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
SMILESCOc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)nc2)cc1CC(=O)Cc1nccs1
InChIInChI=1S/C27H21FN4O6S2/c1-36-24-4-2-3-21(28)27(24)38-23-8-5-18(11-17(23)12-19(33)13-26-30-9-10-39-26)32-40(34,35)20-6-7-22(31-14-20)25-15-29-16-37-25/h2-11,14-16,32H,12-13H2,1H3
InChIKeyFXZWDDWZOZREGU-UHFFFAOYSA-N
XLogP5.29
TPSA133.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.62
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-[4-(6-fluoro-2-methylquinolin-4-yl)oxyphenyl]-5-(1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 58229371
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]pyridine-2-carboxamide
CID 58541222
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 58541373
N-[4-(2-fluoro-6-methoxyphenoxy)-3-[2-oxo-3-(1,3-thiazol-2-yl)propyl]phenyl]pyridine-4-carboxamide
CID 58541566
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide
CID 59384886
1-[2-(2-Fluoro-6-methoxyphenoxy)-5-[[6-(1,3-oxazol-5-yl)-3-pyridinyl]sulfonylamino]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733017
N-{[2-(3-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,3-thiazole-4-carboxamide
CID 42431927
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)acetamide
CID 56058983

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]-6-(1,3-oxazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(F)c1Oc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)nc2)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]-6-(1,3-oxazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is FXZWDDWZOZREGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O6S2/c1-36-24-4-2-3-21(28)27(24)38-23-8-5-18(11-17(23)12-19(33)13-26-30-9-10-39-26)32-40(34,35)20-6-7-22(31-14-20)25-15-29-16-37-25/h2-11,14-16,32H,12-13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 580.62 g/mol, XLogP of 5.29, 11 rotatable bonds, 1 hydrogen bond donors, and 10 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]-6-(1,3-oxazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58541478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).