methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate

C15H17NO4S2 — CID 71654904

IUPACmethyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NS(=O)(=O)c2ccccc2)c1C(=O)OC
InChIInChI=1S/C15H17NO4S2/c1-4-12-10(2)21-14(13(12)15(17)20-3)16-22(18,19)11-8-6-5-7-9-11/h5-9,16H,4H2,1-3H3
InChIKeyUSMIIDUUGZPMHY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.21
Rot. Bonds5

About methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate

methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 71654904) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID71654904
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Namemethyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCc1c(C)sc(NS(=O)(=O)c2ccccc2)c1C(=O)OC
InChIInChI=1S/C15H17NO4S2/c1-4-12-10(2)21-14(13(12)15(17)20-3)16-22(18,19)11-8-6-5-7-9-11/h5-9,16H,4H2,1-3H3
InChIKeyUSMIIDUUGZPMHY-UHFFFAOYSA-N
XLogP3.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate (CID 71654904) is methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate is CCc1c(C)sc(NS(=O)(=O)c2ccccc2)c1C(=O)OC.
What is the InChIKey of methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is USMIIDUUGZPMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-4-12-10(2)21-14(13(12)15(17)20-3)16-22(18,19)11-8-6-5-7-9-11/h5-9,16H,4H2,1-3H3.
What are the key properties of methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate?
methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzenesulfonamido)-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 71654904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).