3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid

C18H13NO4S — CID 3439320

IUPAC3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13NO4S/c20-17(19-15-9-10-24-16(15)18(21)22)12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyZGJBKTLOTKCFTO-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.49
Rot. Bonds5

About 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid

3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 3439320) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID3439320
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESO=C(Nc1ccsc1C(=O)O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C18H13NO4S/c20-17(19-15-9-10-24-16(15)18(21)22)12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,19,20)(H,21,22)
InChIKeyZGJBKTLOTKCFTO-UHFFFAOYSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid (CID 3439320) is 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid is O=C(Nc1ccsc1C(=O)O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is ZGJBKTLOTKCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-17(19-15-9-10-24-16(15)18(21)22)12-5-4-8-14(11-12)23-13-6-2-1-3-7-13/h1-11H,(H,19,20)(H,21,22).
What are the key properties of 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid?
3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenoxybenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 3439320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).