N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

C23H26F2N4O4S2 — CID 130383707

IUPACN-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H26F2N4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)21(34-23)16-10-20(22(32-3)26-12-16)35(30,31)29-19-5-4-17(24)11-18(19)25/h4-5,10-13,15,29H,6-9H2,1-3H3,(H,27,28)
InChIKeyXEUZXFLWGFVLED-UHFFFAOYSA-N
MW524.62 g/mol
LogP4.83
Rot. Bonds8

About N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide

N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (PubChem CID 130383707) has the molecular formula C23H26F2N4O4S2 and a molecular weight of 524.62 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
PubChem CID130383707
Molecular FormulaC23H26F2N4O4S2
Molecular Weight524.62 g/mol
Exact Mass524.14
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide
SMILESCOc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H26F2N4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)21(34-23)16-10-20(22(32-3)26-12-16)35(30,31)29-19-5-4-17(24)11-18(19)25/h4-5,10-13,15,29H,6-9H2,1-3H3,(H,27,28)
InChIKeyXEUZXFLWGFVLED-UHFFFAOYSA-N
XLogP4.83
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide (CID 130383707) is N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is COc1ncc(-c2sc(NC(C)C3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
The InChIKey is XEUZXFLWGFVLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4S2/c1-13(15-6-8-33-9-7-15)27-23-28-14(2)21(34-23)16-10-20(22(32-3)26-12-16)35(30,31)29-19-5-4-17(24)11-18(19)25/h4-5,10-13,15,29H,6-9H2,1-3H3,(H,27,28).
What are the key properties of N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide?
N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide has a molecular weight of 524.62 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-5-[4-methyl-2-[1-(oxan-4-yl)ethylamino]-1,3-thiazol-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 130383707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).