N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

C90H75Cl5N10O30S10 — CID 157100028

IUPACN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
SMILES[2H]C([2H])([2H])c1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1Cl.[2H]C1Oc2cc(C)c(CC(=O)c3sccc3S(=O)(=O)Nc3onc(C([2H])([2H])[2H])c3Cl)cc2O1.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OCO2
InChIInChI=1S/5C18H15ClN2O6S2/c5*1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h5*3-5,7,21H,6,8H2,1-2H3/i1D3,5D,6D2,7D,8D2;1D3,5D,6D2,7D,8D;1D3,5D,6D2,7D;2D3,8D;2D3
InChIKeyAFQSCRUTYWMIJI-NLHZDDIPSA-N
MW2305.75 g/mol
LogP19.81
Rot. Bonds35

About N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide (PubChem CID 157100028) has the molecular formula C90H75Cl5N10O30S10 and a molecular weight of 2305.75 g/mol. Its IUPAC name is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
PubChem CID157100028
Molecular FormulaC90H75Cl5N10O30S10
Molecular Weight2305.75 g/mol
Exact Mass2301.22
IUPAC NameN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
SMILES[2H]C([2H])([2H])c1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1Cl.[2H]C1Oc2cc(C)c(CC(=O)c3sccc3S(=O)(=O)Nc3onc(C([2H])([2H])[2H])c3Cl)cc2O1.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OCO2
InChIInChI=1S/5C18H15ClN2O6S2/c5*1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h5*3-5,7,21H,6,8H2,1-2H3/i1D3,5D,6D2,7D,8D2;1D3,5D,6D2,7D,8D;1D3,5D,6D2,7D;2D3,8D;2D3
InChIKeyAFQSCRUTYWMIJI-NLHZDDIPSA-N
XLogP19.81
TPSA538.65 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002305.75
LogP ≤ 519.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide with MolForge

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Related Compounds

N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-deuterio-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide
CID 58088875
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-deuterio-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide
CID 58088771
5-(chloromethyl)-2,2-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxole;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[2,2-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 159874583
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;phosphoric acid
CID 146158089
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 10274552
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(4,5-dihydroxy-2-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 71055563
methyl 6-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxylate
CID 141224699
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(6-methyl-1,3-benzodioxol-5-yl)thiophene-2-carboxamide
CID 10226215
sodium (4-chloro-3-methyl-1,2-oxazol-5-yl)-[2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophen-3-yl]sulfonylazanide
CID 11477084
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-[3-(hydroxymethyl)-2,4,6-trimethylphenyl]acetyl]thiophene-3-sulfonamide
CID 23445289
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(2,3,4-trimethoxy-6-methylphenyl)acetyl]thiophene-3-sulfonamide
CID 18009303
3-[2-[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophen-2-yl]-2-oxoethyl]-2,4,6-trimethylbenzoic acid
CID 23445398

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide?
The IUPAC name of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide (CID 157100028) is N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide is [2H]C([2H])([2H])c1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3c(cc2C)OCO3)c1Cl.[2H]C1Oc2cc(C)c(CC(=O)c3sccc3S(=O)(=O)Nc3onc(C([2H])([2H])[2H])c3Cl)cc2O1.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OC([2H])O2.[2H]c1c2c(c([2H])c(C([2H])([2H])C(=O)c3sccc3S(=O)(=O)Nc3onc(C)c3Cl)c1C([2H])([2H])[2H])OCO2.
What is the InChIKey of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide?
The InChIKey is AFQSCRUTYWMIJI-NLHZDDIPSA-N. The full InChI is InChI=1S/5C18H15ClN2O6S2/c5*1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h5*3-5,7,21H,6,8H2,1-2H3/i1D3,5D,6D2,7D,8D2;1D3,5D,6D2,7D,8D;1D3,5D,6D2,7D;2D3,8D;2D3.
What are the key properties of N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide?
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide has a molecular weight of 2305.75 g/mol, XLogP of 19.81, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[4,7-dideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,2,4,7-tetradeuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2,2-dideuterio-2-[2,4,7-trideuterio-6-(trideuteriomethyl)-1,3-benzodioxol-5-yl]acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(2-deuterio-6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide;N-[4-chloro-3-(trideuteriomethyl)-1,2-oxazol-5-yl]-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide is sourced from PubChem (CID 157100028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).