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

C80H84N12O20S8 — CID 158354756

IUPACN-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
SMILES[2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C([2H])([2H])[2H])c1C([2H])([2H])[2H].[2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c1C([2H])([2H])[2H].[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C([2H])([2H])[2H])c1C.[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C)c1C
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)/i1D3,2D3,3D3,8D;3D3,4D3,8D;1D3,2D3,8D;4D3,8D
InChIKeyGSSVWILIOPERDP-UBCHJXJFSA-N
MW1818.32 g/mol
LogP16.90
Rot. Bonds32

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

N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide (PubChem CID 158354756) has the molecular formula C80H84N12O20S8 and a molecular weight of 1818.32 g/mol. Its IUPAC name is N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
PubChem CID158354756
Molecular FormulaC80H84N12O20S8
Molecular Weight1818.32 g/mol
Exact Mass1816.54
IUPAC NameN-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
SMILES[2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C([2H])([2H])[2H])c1C([2H])([2H])[2H].[2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c1C([2H])([2H])[2H].[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C([2H])([2H])[2H])c1C.[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C)c1C
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)/i1D3,2D3,3D3,8D;3D3,4D3,8D;1D3,2D3,8D;4D3,8D
InChIKeyGSSVWILIOPERDP-UBCHJXJFSA-N
XLogP16.90
TPSA473.48 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds32
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-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide
CID 58088716
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
N-deuterio-3-[deuterio-[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]-N-[3-deuterio-6-(2,2,2-trideuterioacetyl)-2,4-bis(trideuteriomethyl)phenyl]thiophene-2-carboxamide
CID 58088858
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
N-[2-acetyl-4,6-bis(trideuteriomethyl)phenyl]-3-[(3-deuterio-4-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 59565767
N-(2-cyano-3,4,6-trimethylphenyl)-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 10114414
N-(3-cyano-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
CID 18009265
3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-isocyano-3,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 20616926
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide
CID 70060324
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(4,6-diacetyl-3-hydroxy-2-propylphenyl)thiophene-2-carboxamide
CID 10119656
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
sodium 3-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-2,4,6-trimethylphenolate
CID 23688225

Frequently Asked Questions

What is the IUPAC name of N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide (CID 158354756) is N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide is [2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C([2H])([2H])[2H])c1C([2H])([2H])[2H].[2H]c1c(C([2H])([2H])[2H])cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2C)c1C([2H])([2H])[2H].[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C([2H])([2H])[2H])c1C.[2H]c1c(C)cc(C(C)=O)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C([2H])([2H])[2H])c2C)c1C.
What is the InChIKey of N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
The InChIKey is GSSVWILIOPERDP-UBCHJXJFSA-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)/i1D3,2D3,3D3,8D;3D3,4D3,8D;1D3,2D3,8D;4D3,8D.
What are the key properties of N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide?
N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide has a molecular weight of 1818.32 g/mol, XLogP of 16.90, 32 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide;N-[6-acetyl-3-deuterio-2,4-bis(trideuteriomethyl)phenyl]-3-[[3-methyl-4-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[3,4-bis(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide;N-(6-acetyl-3-deuterio-2,4-dimethylphenyl)-3-[[4-methyl-3-(trideuteriomethyl)-1,2-oxazol-5-yl]sulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 158354756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).