4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

C18H14N2O4S — CID 169086234

IUPAC4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H14N2O4S/c1-11-7-8-13(10-19-11)24-18-14(9-15(25-18)17(22)23)20-16(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyJJCFRMAEDGUHSI-UHFFFAOYSA-N
MW354.39 g/mol
LogP4.19
Rot. Bonds5

About 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid

4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (PubChem CID 169086234) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
PubChem CID169086234
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid
SMILESCc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccccc2)cn1
InChIInChI=1S/C18H14N2O4S/c1-11-7-8-13(10-19-11)24-18-14(9-15(25-18)17(22)23)20-16(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyJJCFRMAEDGUHSI-UHFFFAOYSA-N
XLogP4.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid (CID 169086234) is 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is Cc1ccc(Oc2sc(C(=O)O)cc2NC(=O)c2ccccc2)cn1.
What is the InChIKey of 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
The InChIKey is JJCFRMAEDGUHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-11-7-8-13(10-19-11)24-18-14(9-15(25-18)17(22)23)20-16(21)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid?
4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid has a molecular weight of 354.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-5-[(6-methyl-3-pyridinyl)oxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 169086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).