[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

C21H28N2O6S2 — CID 41232959

IUPAC[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1CC
InChIInChI=1S/C21H28N2O6S2/c1-6-8-18-14(7-2)11-19(30-18)21(25)29-13-20(24)22-16-12-15(9-10-17(16)28-5)31(26,27)23(3)4/h9-12H,6-8,13H2,1-5H3,(H,22,24)
InChIKeyUYZKOOZCJHDBKT-UHFFFAOYSA-N
MW468.60 g/mol
LogP3.32
Rot. Bonds10

About [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 41232959) has the molecular formula C21H28N2O6S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID41232959
Molecular FormulaC21H28N2O6S2
Molecular Weight468.60 g/mol
Exact Mass468.14
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1CC
InChIInChI=1S/C21H28N2O6S2/c1-6-8-18-14(7-2)11-19(30-18)21(25)29-13-20(24)22-16-12-15(9-10-17(16)28-5)31(26,27)23(3)4/h9-12H,6-8,13H2,1-5H3,(H,22,24)
InChIKeyUYZKOOZCJHDBKT-UHFFFAOYSA-N
XLogP3.32
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651341
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethylbenzoate
CID 7364669
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512853
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate
CID 7716966
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651339
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7670665
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516830
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 4792679
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489147
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651396

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 41232959) is [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)cc1CC.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is UYZKOOZCJHDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S2/c1-6-8-18-14(7-2)11-19(30-18)21(25)29-13-20(24)22-16-12-15(9-10-17(16)28-5)31(26,27)23(3)4/h9-12H,6-8,13H2,1-5H3,(H,22,24).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate?
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 468.60 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 41232959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).