dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate

C16H17NO6S2 — CID 1186218

IUPACdimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)NCc2ccccc2)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO6S2/c1-10-12(14(18)22-2)16(24-13(10)15(19)23-3)25(20,21)17-9-11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3
InChIKeyOAWYOGCPICCQMT-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.11
Rot. Bonds6

About dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate

dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate (PubChem CID 1186218) has the molecular formula C16H17NO6S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate
PubChem CID1186218
Molecular FormulaC16H17NO6S2
Molecular Weight383.45 g/mol
Exact Mass383.05
IUPAC Namedimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(S(=O)(=O)NCc2ccccc2)c(C(=O)OC)c1C
InChIInChI=1S/C16H17NO6S2/c1-10-12(14(18)22-2)16(24-13(10)15(19)23-3)25(20,21)17-9-11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3
InChIKeyOAWYOGCPICCQMT-UHFFFAOYSA-N
XLogP2.11
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2943684
Dimethyl 3-methyl-5-{[(2-thienylmethyl)amino]sulfonyl}-2,4-thiophenedicarboxylate
CID 1582770
5-(Benzylsulfamoyl)-4-(methoxycarbonyl)-3-methylthiophene-2-carboxylic acid
CID 2412324
Dimethyl 3-methyl-5-[(4-methylphenyl)sulfamoyl]thiophene-2,4-dicarboxylate
CID 1051349
2-[3,5-Bis(methoxycarbonyl)-4-methylthiophene-2-sulfonamido]-3-phenylpropanoic acid
CID 3682002
C16H14F3NO6S2
CID 1190482
methyl 4-[(E)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 5771783
Methyl 3-[5-(aminomethyl)thiophen-2-yl]sulfonylbenzoate;hydrochloride
CID 130345207
US10807974, Example 23
CID 130345208
Methyl 3-({[4-(aminosulfonyl)benzyl]amino}sulfonyl)-2-thiophenecarboxylate
CID 2738730
methyl 4-[(E,1R)-2-propyl-1-(thiophen-2-ylsulfonylamino)hex-2-enyl]benzoate
CID 44592830
Dimethyl 5-[(5-fluoro-2-methylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 4558647

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate (CID 1186218) is dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate is COC(=O)c1sc(S(=O)(=O)NCc2ccccc2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate?
The InChIKey is OAWYOGCPICCQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S2/c1-10-12(14(18)22-2)16(24-13(10)15(19)23-3)25(20,21)17-9-11-7-5-4-6-8-11/h4-8,17H,9H2,1-3H3.
What are the key properties of dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate?
dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate has a molecular weight of 383.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(benzylsulfamoyl)-3-methylthiophene-2,4-dicarboxylate is sourced from PubChem (CID 1186218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).