[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

C19H24N2O5S2 — CID 55523771

IUPAC[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-15-13(2)10-16(27-15)19(23)26-12-18(22)20-11-14-8-6-7-9-17(14)28(24,25)21(3)4/h6-10H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyNIULRXGYBRMIPM-UHFFFAOYSA-N
MW424.54 g/mol
LogP2.34
Rot. Bonds8

About [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 55523771) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID55523771
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Name[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-15-13(2)10-16(27-15)19(23)26-12-18(22)20-11-14-8-6-7-9-17(14)28(24,25)21(3)4/h6-10H,5,11-12H2,1-4H3,(H,20,22)
InChIKeyNIULRXGYBRMIPM-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 6-bromo-1H-indole-2-carboxylate
CID 38633157
(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651394
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 30918870
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651339
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
2-(2,6-dimethylanilino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 32908705
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 46608033
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)propanoate
CID 55525104
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512864
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(N-ethyl-3,5-dimethylanilino)acetamide
CID 55865470
3-(3-chloro-4-methylphenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 18140580
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate
CID 55941699

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate (CID 55523771) is [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1C.
What is the InChIKey of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is NIULRXGYBRMIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-5-15-13(2)10-16(27-15)19(23)26-12-18(22)20-11-14-8-6-7-9-17(14)28(24,25)21(3)4/h6-10H,5,11-12H2,1-4H3,(H,20,22).
What are the key properties of [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate?
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 55523771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).