5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid

C17H11F2NO4S — CID 138997482

IUPAC5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)c3ccccc3OC(F)F)ccc2s1
InChIInChI=1S/C17H11F2NO4S/c18-17(19)24-12-4-2-1-3-11(12)15(21)20-10-5-6-13-9(7-10)8-14(25-13)16(22)23/h1-8,17H,(H,20,21)(H,22,23)
InChIKeyDPYUHXZQVJIADU-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.45
Rot. Bonds5

About 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid

5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid (PubChem CID 138997482) has the molecular formula C17H11F2NO4S and a molecular weight of 363.34 g/mol. Its IUPAC name is 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid
PubChem CID138997482
Molecular FormulaC17H11F2NO4S
Molecular Weight363.34 g/mol
Exact Mass363.04
IUPAC Name5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1cc2cc(NC(=O)c3ccccc3OC(F)F)ccc2s1
InChIInChI=1S/C17H11F2NO4S/c18-17(19)24-12-4-2-1-3-11(12)15(21)20-10-5-6-13-9(7-10)8-14(25-13)16(22)23/h1-8,17H,(H,20,21)(H,22,23)
InChIKeyDPYUHXZQVJIADU-UHFFFAOYSA-N
XLogP4.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid (CID 138997482) is 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid is O=C(O)c1cc2cc(NC(=O)c3ccccc3OC(F)F)ccc2s1.
What is the InChIKey of 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid?
The InChIKey is DPYUHXZQVJIADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO4S/c18-17(19)24-12-4-2-1-3-11(12)15(21)20-10-5-6-13-9(7-10)8-14(25-13)16(22)23/h1-8,17H,(H,20,21)(H,22,23).
What are the key properties of 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid?
5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid has a molecular weight of 363.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(difluoromethoxy)benzoyl]amino]-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 138997482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).