methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate

C14H15NO4S2 — CID 103600960

IUPACmethyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-10(12-7-5-9-20-12)15-21(17,18)13-8-4-3-6-11(13)14(16)19-2/h3-10,15H,1-2H3
InChIKeyIQTXXKRXDBORAI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.57
Rot. Bonds5

About methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate

methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate (PubChem CID 103600960) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate
PubChem CID103600960
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(C)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-10(12-7-5-9-20-12)15-21(17,18)13-8-4-3-6-11(13)14(16)19-2/h3-10,15H,1-2H3
InChIKeyIQTXXKRXDBORAI-UHFFFAOYSA-N
XLogP2.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
3-[(4-Carboxybenzyl)sulfamoyl]thiophene-2-Carboxylic Acid
CID 73659121
Methyl 4-[[methyl(thiophen-2-ylsulfonyl)amino]methyl]benzoate
CID 2595370
3-[(Thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 647810
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
Ethyl 3-{[(4-fluorobenzyl)amino]sulfonyl}-1-benzothiophene-2-carboxylate
CID 16026512
Methyl 4-fluoro-3-[(4-fluorobenzyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16026514
Methyl 4-fluoro-3-[(1-phenylethyl)sulfamoyl]-1-benzothiophene-2-carboxylate
CID 16026520
3-[(4-Methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 43090749

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate (CID 103600960) is methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(C)c1cccs1.
What is the InChIKey of methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate?
The InChIKey is IQTXXKRXDBORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-10(12-7-5-9-20-12)15-21(17,18)13-8-4-3-6-11(13)14(16)19-2/h3-10,15H,1-2H3.
What are the key properties of methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate?
methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate has a molecular weight of 325.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-thiophen-2-ylethylsulfamoyl)benzoate is sourced from PubChem (CID 103600960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).