[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

C19H24N2O5S2 — CID 16516830

IUPAC[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-7-14-10-17(27-13(14)2)19(23)26-12-18(22)20-15-8-6-9-16(11-15)28(24,25)21(3)4/h6,8-11H,5,7,12H2,1-4H3,(H,20,22)
InChIKeyHBFMCFGCEYKUQZ-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.05
Rot. Bonds8

About [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 16516830) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID16516830
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-7-14-10-17(27-13(14)2)19(23)26-12-18(22)20-15-8-6-9-16(11-15)28(24,25)21(3)4/h6,8-11H,5,7,12H2,1-4H3,(H,20,22)
InChIKeyHBFMCFGCEYKUQZ-UHFFFAOYSA-N
XLogP3.05
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683646
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate
CID 16512718
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 41232959
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418679
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7262631
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 3502658
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4840689
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418951

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 16516830) is [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)sc1C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is HBFMCFGCEYKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-5-7-14-10-17(27-13(14)2)19(23)26-12-18(22)20-15-8-6-9-16(11-15)28(24,25)21(3)4/h6,8-11H,5,7,12H2,1-4H3,(H,20,22).
What are the key properties of [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 16516830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).