N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide

C80H84N12O20S8 — CID 158354737

IUPACN-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
SMILES[2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C([2H])([2H])[2H])c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C)c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C([2H])([2H])[2H])c1C(C)=O.[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C)c1C(C)=O
InChIInChI=1S/4C20H21N3O5S2/c4*1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h4*6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,3D3;3D3,9D;1D3,2D3;9D/hD8
InChIKeyGSSVWILIOPERDP-OOUSMFSGSA-N
MW1818.32 g/mol
LogP16.90
Rot. Bonds30

About N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide

N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide (PubChem CID 158354737) has the molecular formula C80H84N12O20S8 and a molecular weight of 1818.32 g/mol. Its IUPAC name is N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
PubChem CID158354737
Molecular FormulaC80H84N12O20S8
Molecular Weight1818.32 g/mol
Exact Mass1816.54
IUPAC NameN-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
SMILES[2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C([2H])([2H])[2H])c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C)c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C([2H])([2H])[2H])c1C(C)=O.[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C)c1C(C)=O
InChIInChI=1S/4C20H21N3O5S2/c4*1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h4*6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,3D3;3D3,9D;1D3,2D3;9D/hD8
InChIKeyGSSVWILIOPERDP-OOUSMFSGSA-N
XLogP16.90
TPSA473.48 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds30
Heavy Atoms120
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001818.32
LogP ≤ 516.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide (CID 158354737) is N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide is [2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C([2H])([2H])[2H])c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]N(C(=O)c1sccc1S(=O)(=O)N([2H])c1onc(C)c1C)c1c(C(C)=O)cc(C([2H])([2H])[2H])cc1C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C([2H])([2H])[2H])c1C(C)=O.[2H]c1c(C)cc(C)c(N([2H])C(=O)c2sccc2S(=O)(=O)N([2H])c2onc(C)c2C)c1C(C)=O.
What is the InChIKey of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The InChIKey is GSSVWILIOPERDP-OOUSMFSGSA-N. The full InChI is InChI=1S/4C20H21N3O5S2/c4*1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20/h4*6-9,23H,1-5H3,(H,21,25)/i1D3,2D3,3D3;3D3,9D;1D3,2D3;9D/hD8.
What are the key properties of N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide has a molecular weight of 1818.32 g/mol, XLogP of 16.90, 30 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-(2-acetyl-3-deuterio-4,6-dimethylphenyl)-N-deuterio-3-[deuterio-[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 158354737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).