N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

C24H26FN3O5S2 — CID 121452654

IUPACN-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C24H26FN3O5S2/c1-15-23(34-24(26-15)27-22(29)13-16-9-11-33-12-10-16)17-7-8-20(32-2)21(14-17)35(30,31)28-19-6-4-3-5-18(19)25/h3-8,14,16,28H,9-13H2,1-2H3,(H,26,27,29)
InChIKeyDCUDAEFAURZQOC-UHFFFAOYSA-N
MW519.62 g/mol
LogP4.82
Rot. Bonds8

About N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide

N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (PubChem CID 121452654) has the molecular formula C24H26FN3O5S2 and a molecular weight of 519.62 g/mol. Its IUPAC name is N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
PubChem CID121452654
Molecular FormulaC24H26FN3O5S2
Molecular Weight519.62 g/mol
Exact Mass519.13
IUPAC NameN-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C24H26FN3O5S2/c1-15-23(34-24(26-15)27-22(29)13-16-9-11-33-12-10-16)17-7-8-20(32-2)21(14-17)35(30,31)28-19-6-4-3-5-18(19)25/h3-8,14,16,28H,9-13H2,1-2H3,(H,26,27,29)
InChIKeyDCUDAEFAURZQOC-UHFFFAOYSA-N
XLogP4.82
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.62
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide (CID 121452654) is N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is COc1ccc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
The InChIKey is DCUDAEFAURZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5S2/c1-15-23(34-24(26-15)27-22(29)13-16-9-11-33-12-10-16)17-7-8-20(32-2)21(14-17)35(30,31)28-19-6-4-3-5-18(19)25/h3-8,14,16,28H,9-13H2,1-2H3,(H,26,27,29).
What are the key properties of N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide?
N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide has a molecular weight of 519.62 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(2-fluorophenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 121452654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).