2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid

C15H17NO4S2 — CID 45297292

IUPAC2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C15H17NO4S2/c1-2-16(11-12-6-4-3-5-7-12)22(19,20)15-9-8-13(21-15)10-14(17)18/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyUTWQNQPUBZZNLJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.59
Rot. Bonds7

About 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 45297292) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID45297292
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C15H17NO4S2/c1-2-16(11-12-6-4-3-5-7-12)22(19,20)15-9-8-13(21-15)10-14(17)18/h3-9H,2,10-11H2,1H3,(H,17,18)
InChIKeyUTWQNQPUBZZNLJ-UHFFFAOYSA-N
XLogP2.59
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid (CID 45297292) is 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is UTWQNQPUBZZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-2-16(11-12-6-4-3-5-7-12)22(19,20)15-9-8-13(21-15)10-14(17)18/h3-9H,2,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 339.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[benzyl(ethyl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 45297292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).