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

C14H15NO4S2 — CID 2807966

IUPACmethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H15NO4S2/c1-9-4-6-11(7-5-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h4-8,15H,1-3H3
InChIKeyZZOLOCQBEIWIFU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.95
Rot. Bonds4

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

methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2807966) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2807966
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Namemethyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H15NO4S2/c1-9-4-6-11(7-5-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h4-8,15H,1-3H3
InChIKeyZZOLOCQBEIWIFU-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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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 2807966) is methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is ZZOLOCQBEIWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-4-6-11(7-5-9)15-21(17,18)13-10(2)8-20-12(13)14(16)19-3/h4-8,15H,1-3H3.
What are the key properties of methyl 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 4-methyl-3-[(4-methylphenyl)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 4-methyl-3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2807966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).