N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C20H20FN3O5S2 — CID 24672146

IUPACN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O5S2/c1-24(2)31(26,27)15-8-9-18(28-3)16(10-15)23-20(25)17-12-30-19(22-17)11-29-14-6-4-13(21)5-7-14/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyWMKAIOPTMFNXHW-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.37
Rot. Bonds8

About N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24672146) has the molecular formula C20H20FN3O5S2 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID24672146
Molecular FormulaC20H20FN3O5S2
Molecular Weight465.53 g/mol
Exact Mass465.08
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O5S2/c1-24(2)31(26,27)15-8-9-18(28-3)16(10-15)23-20(25)17-12-30-19(22-17)11-29-14-6-4-13(21)5-7-14/h4-10,12H,11H2,1-3H3,(H,23,25)
InChIKeyWMKAIOPTMFNXHW-UHFFFAOYSA-N
XLogP3.37
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 119797765
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-fluorobenzamide
CID 7750677
2-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 55433666
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
2-[(4-fluorophenoxy)methyl]-N-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 24671861
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-[(4-fluorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24712831
N-(4-fluorophenyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42835469
2-[(4-fluorophenoxy)methyl]-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24671807
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55406152
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 24672146) is N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WMKAIOPTMFNXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S2/c1-24(2)31(26,27)15-8-9-18(28-3)16(10-15)23-20(25)17-12-30-19(22-17)11-29-14-6-4-13(21)5-7-14/h4-10,12H,11H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24672146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).