methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate

C14H15NO4S2 — CID 5069019

IUPACmethyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H15NO4S2/c1-9-4-5-11(8-10(9)2)15-21(17,18)12-6-7-20-13(12)14(16)19-3/h4-8,15H,1-3H3
InChIKeyDNMKREZOPUDCJG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

About methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 5069019) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID5069019
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C14H15NO4S2/c1-9-4-5-11(8-10(9)2)15-21(17,18)12-6-7-20-13(12)14(16)19-3/h4-8,15H,1-3H3
InChIKeyDNMKREZOPUDCJG-UHFFFAOYSA-N
XLogP2.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-methyl-4-propan-2-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 3783614
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
3-[(4-fluoro-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62811245
methyl 3-[(2-propan-2-yl-1,3-benzoxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 39343906
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
3-[(3-chloro-4-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235749
dimethyl 2-[(3,4-dimethylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 26952290
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
methyl 3-[[3-[ethylcarbamoyl(methyl)amino]phenyl]sulfamoyl]thiophene-2-carboxylate
CID 154755350
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 5069019) is methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is DNMKREZOPUDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-4-5-11(8-10(9)2)15-21(17,18)12-6-7-20-13(12)14(16)19-3/h4-8,15H,1-3H3.
What are the key properties of methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 5069019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).