dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate

C16H17NO6S2 — CID 1051349

IUPACdimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO6S2/c1-9-5-7-11(8-6-9)17-25(20,21)16-12(14(18)22-3)10(2)13(24-16)15(19)23-4/h5-8,17H,1-4H3
InChIKeyGUHXUKLVJGWIMP-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.74
Rot. Bonds5

About dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate (PubChem CID 1051349) has the molecular formula C16H17NO6S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
PubChem CID1051349
Molecular FormulaC16H17NO6S2
Molecular Weight383.45 g/mol
Exact Mass383.05
IUPAC Namedimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO6S2/c1-9-5-7-11(8-6-9)17-25(20,21)16-12(14(18)22-3)10(2)13(24-16)15(19)23-4/h5-8,17H,1-4H3
InChIKeyGUHXUKLVJGWIMP-UHFFFAOYSA-N
XLogP2.74
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate (CID 1051349) is dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)Nc2ccc(C)cc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate?
The InChIKey is GUHXUKLVJGWIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S2/c1-9-5-7-11(8-6-9)17-25(20,21)16-12(14(18)22-3)10(2)13(24-16)15(19)23-4/h5-8,17H,1-4H3.
What are the key properties of dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 1051349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).