dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

C16H17NO7S2 — CID 4008693

IUPACdimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccccc2OC)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO7S2/c1-9-12(14(18)23-3)16(25-13(9)15(19)24-4)26(20,21)17-10-7-5-6-8-11(10)22-2/h5-8,17H,1-4H3
InChIKeyMFEWSJIHVTXHSR-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.44
Rot. Bonds6

About dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (PubChem CID 4008693) has the molecular formula C16H17NO7S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
PubChem CID4008693
Molecular FormulaC16H17NO7S2
Molecular Weight399.45 g/mol
Exact Mass399.04
IUPAC Namedimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccccc2OC)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO7S2/c1-9-12(14(18)23-3)16(25-13(9)15(19)24-4)26(20,21)17-10-7-5-6-8-11(10)22-2/h5-8,17H,1-4H3
InChIKeyMFEWSJIHVTXHSR-UHFFFAOYSA-N
XLogP2.44
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 3-methyl-5-(naphthalen-1-ylsulfamoyl)thiophene-2,4-dicarboxylate
CID 3640880
2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]benzoate
CID 3638106
dimethyl 5-[[4-(2-chlorophenoxy)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 3502522
dimethyl 5-[[2-(2-methoxyanilino)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 9080610
dimethyl 5-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2099861
2-[[3,5-bis(methoxycarbonyl)-4-methylthiophen-2-yl]sulfonylamino]acetate
CID 2398131
methyl 2-[(2-methoxybenzoyl)amino]-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1131134
methyl 2-benzamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071066
5-bromo-4-[(2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39824179
methyl 2-[(2-methoxyphenyl)sulfonylamino]benzoate
CID 110757322
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
methyl 4-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 43069696

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate (CID 4008693) is dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccccc2OC)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is MFEWSJIHVTXHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO7S2/c1-9-12(14(18)23-3)16(25-13(9)15(19)24-4)26(20,21)17-10-7-5-6-8-11(10)22-2/h5-8,17H,1-4H3.
What are the key properties of dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 399.45 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-methoxyphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 4008693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).