N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

C23H24F2N4O5S2 — CID 121467260

IUPACN-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H24F2N4O5S2/c1-13-21(35-23(27-13)28-20(30)9-14-5-7-34-8-6-14)15-10-19(22(33-2)26-12-15)36(31,32)29-18-4-3-16(24)11-17(18)25/h3-4,10-12,14,29H,5-9H2,1-2H3,(H,27,28,30)
InChIKeyLFNFGINFHVTJDA-UHFFFAOYSA-N
MW538.60 g/mol
LogP4.36
Rot. Bonds8

About N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 121467260) has the molecular formula C23H24F2N4O5S2 and a molecular weight of 538.60 g/mol. Its IUPAC name is N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID121467260
Molecular FormulaC23H24F2N4O5S2
Molecular Weight538.60 g/mol
Exact Mass538.12
IUPAC NameN-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C23H24F2N4O5S2/c1-13-21(35-23(27-13)28-20(30)9-14-5-7-34-8-6-14)15-10-19(22(33-2)26-12-15)36(31,32)29-18-4-3-16(24)11-17(18)25/h3-4,10-12,14,29H,5-9H2,1-2H3,(H,27,28,30)
InChIKeyLFNFGINFHVTJDA-UHFFFAOYSA-N
XLogP4.36
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.60
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (CID 121467260) is N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is COc1ncc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is LFNFGINFHVTJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O5S2/c1-13-21(35-23(27-13)28-20(30)9-14-5-7-34-8-6-14)15-10-19(22(33-2)26-12-15)36(31,32)29-18-4-3-16(24)11-17(18)25/h3-4,10-12,14,29H,5-9H2,1-2H3,(H,27,28,30).
What are the key properties of N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 538.60 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(2,4-difluorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 121467260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).