dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate

C20H24N2O7S2 — CID 41085326

IUPACdimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C20H24N2O7S2/c1-6-22(7-2)31(26,27)14-10-8-13(9-11-14)17(23)21-18-15(19(24)28-4)12(3)16(30-18)20(25)29-5/h8-11H,6-7H2,1-5H3,(H,21,23)
InChIKeyIBZJDSBVPAQSOK-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.91
Rot. Bonds8

About dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 41085326) has the molecular formula C20H24N2O7S2 and a molecular weight of 468.55 g/mol. Its IUPAC name is dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
PubChem CID41085326
Molecular FormulaC20H24N2O7S2
Molecular Weight468.55 g/mol
Exact Mass468.10
IUPAC Namedimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1
InChIInChI=1S/C20H24N2O7S2/c1-6-22(7-2)31(26,27)14-10-8-13(9-11-14)17(23)21-18-15(19(24)28-4)12(3)16(30-18)20(25)29-5/h8-11H,6-7H2,1-5H3,(H,21,23)
InChIKeyIBZJDSBVPAQSOK-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-carbamoyl-5-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 44918674
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 23964322
diethyl 5-[[4-[bis(prop-2-enyl)sulfamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 23856517
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23884284
dimethyl 5-[(4-tert-butylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5177463
methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4055304
methyl 2-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 41006324
methyl 2-benzamido-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 1131031
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
methyl 4-cyano-5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 44918905
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
dimethyl 3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 2933338

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate (CID 41085326) is dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)cc1.
What is the InChIKey of dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is IBZJDSBVPAQSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O7S2/c1-6-22(7-2)31(26,27)14-10-8-13(9-11-14)17(23)21-18-15(19(24)28-4)12(3)16(30-18)20(25)29-5/h8-11H,6-7H2,1-5H3,(H,21,23).
What are the key properties of dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 468.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[[4-(diethylsulfamoyl)benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 41085326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).