ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

C20H24N2O7S2 — CID 2553159

IUPACethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc(C)c1C
InChIInChI=1S/C20H24N2O7S2/c1-6-28-20(25)17-12(2)13(3)30-18(17)21-16(23)11-29-19(24)14-8-7-9-15(10-14)31(26,27)22(4)5/h7-10H,6,11H2,1-5H3,(H,21,23)
InChIKeyXPPVZBGAZGBGAI-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.59
Rot. Bonds8

About ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate

ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 2553159) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID2553159
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Nameethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc(C)c1C
InChIInChI=1S/C20H24N2O7S2/c1-6-28-20(25)17-12(2)13(3)30-18(17)21-16(23)11-29-19(24)14-8-7-9-15(10-14)31(26,27)22(4)5/h7-10H,6,11H2,1-5H3,(H,21,23)
InChIKeyXPPVZBGAZGBGAI-UHFFFAOYSA-N
XLogP2.59
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-[3-(dimethylamino)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2518559
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 18076307
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017786
diethyl 5-[(2-benzoyloxyacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 2516867
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7790208
[2-(3-cyanoanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7666980
[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2337896
[2-[(3-ethoxycarbonyl-5-ethyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413764
diethyl 3-methyl-5-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]thiophene-2,4-dicarboxylate
CID 16514591
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 2553159) is ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)N(C)C)c2)sc(C)c1C.
What is the InChIKey of ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is XPPVZBGAZGBGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c1-6-28-20(25)17-12(2)13(3)30-18(17)21-16(23)11-29-19(24)14-8-7-9-15(10-14)31(26,27)22(4)5/h7-10H,6,11H2,1-5H3,(H,21,23).
What are the key properties of ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 468.55 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(dimethylsulfamoyl)benzoyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 2553159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).