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

C80H84N12O20S8 — CID 158354709

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

N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide (PubChem CID 158354709) has the molecular formula C80H84N12O20S8 and a molecular weight of 1822.35 g/mol. Its IUPAC name is N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
• PubChem CID: 158354709
• Molecular Formula: C80H84N12O20S8
• Molecular Weight: 1822.35 g/mol
• Exact Mass: 1820.57
• IUPAC Name: N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
• SMILES: [2H]C([2H])([2H])C(=O)c1cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C.[2H]C([2H])([2H])C(=O)c1cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C([2H])([2H])[2H])c1C(=O)C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c1C(=O)C([2H])([2H])[2H]
• InChI: 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)/i1D3,2D3,3D3,5D3;3D3,5D3,9D;1D3,2D3,5D3;5D3,9D
• InChIKey: GSSVWILIOPERDP-DNKNAEDGSA-N
• XLogP: 16.90
• TPSA: 473.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 34
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.35
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide (CID 158354709) is N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide is [2H]C([2H])([2H])C(=O)c1cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C.[2H]C([2H])([2H])C(=O)c1cc(C([2H])([2H])[2H])cc(C([2H])([2H])[2H])c1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C([2H])([2H])[2H])c1C(=O)C([2H])([2H])[2H].[2H]c1c(C)cc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c1C(=O)C([2H])([2H])[2H].

What is the InChIKey of N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?

The InChIKey is GSSVWILIOPERDP-DNKNAEDGSA-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)/i1D3,2D3,3D3,5D3;3D3,5D3,9D;1D3,2D3,5D3;5D3,9D.

What are the key properties of N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide?

N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 1822.35 g/mol, XLogP of 16.90, 34 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[3-deuterio-4,6-dimethyl-2-(2,2,2-trideuterioacetyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide;3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[2-(2,2,2-trideuterioacetyl)-4,6-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 158354709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).