ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate

C19H24N2O5S2 — CID 2354964

IUPACethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)15-10-8-9-14(12-15)18(22)20-16-11-13(4)17(27-16)19(23)26-7-3/h8-12H,5-7H2,1-4H3,(H,20,22)
InChIKeySKZUASVRIILYJT-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.52
Rot. Bonds8

About ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate

ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 2354964) has the molecular formula C19H24N2O5S2 and a molecular weight of 424.54 g/mol. Its IUPAC name is ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID2354964
Molecular FormulaC19H24N2O5S2
Molecular Weight424.54 g/mol
Exact Mass424.11
IUPAC Nameethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1C
InChIInChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)15-10-8-9-14(12-15)18(22)20-16-11-13(4)17(27-16)19(23)26-7-3/h8-12H,5-7H2,1-4H3,(H,20,22)
InChIKeySKZUASVRIILYJT-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-({[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}amino)benzoate
CID 3237508
Ethyl 5-phenyl-2-[[2-(3-sulfamoylbenzoyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 2108163
Ethyl 5-benzamido-3-methylthiophene-2-carboxylate
CID 2078477
[2-[(3-Cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2410928
Ethyl 3-methyl-5-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 2420082
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 2527188
Ethyl 6-methyl-2-{[4-(morpholin-4-ylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3244654
Ethyl 3-methyl-5-[[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]amino]thiophene-2-carboxylate
CID 3265545
Ethyl 6-isopropyl-2-(4-((3-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3273047
Ethyl 6-isopropyl-2-(4-((4-methylpiperidin-1-yl)sulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3273049
Methyl 6-methyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 3583749
Methyl 2-{4-[cyclohexyl(methyl)sulfamoyl]benzamido}-6-methyl-4H,5H,6H,7H-thieno[2,3-C]pyridine-3-carboxylate
CID 3623737

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate (CID 2354964) is ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1C.
What is the InChIKey of ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is SKZUASVRIILYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S2/c1-5-21(6-2)28(24,25)15-10-8-9-14(12-15)18(22)20-16-11-13(4)17(27-16)19(23)26-7-3/h8-12H,5-7H2,1-4H3,(H,20,22).
What are the key properties of ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2354964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).