6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C24H21FN2O5S — CID 59124698

IUPAC6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1cccc(F)c1C)C2
InChIInChI=1S/C24H21FN2O5S/c1-13-14(7-5-8-17(13)25)23(29)27-11-10-16-19(12-27)33-22(20(16)24(30)31)26-21(28)15-6-3-4-9-18(15)32-2/h3-9H,10-12H2,1-2H3,(H,26,28)(H,30,31)
InChIKeyLFLDZZWASOKMAO-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.35
Rot. Bonds5

About 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 59124698) has the molecular formula C24H21FN2O5S and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID59124698
Molecular FormulaC24H21FN2O5S
Molecular Weight468.51 g/mol
Exact Mass468.12
IUPAC Name6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1cccc(F)c1C)C2
InChIInChI=1S/C24H21FN2O5S/c1-13-14(7-5-8-17(13)25)23(29)27-11-10-16-19(12-27)33-22(20(16)24(30)31)26-21(28)15-6-3-4-9-18(15)32-2/h3-9H,10-12H2,1-2H3,(H,26,28)(H,30,31)
InChIKeyLFLDZZWASOKMAO-UHFFFAOYSA-N
XLogP4.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 59124698) is 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is COc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1cccc(F)c1C)C2.
What is the InChIKey of 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is LFLDZZWASOKMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O5S/c1-13-14(7-5-8-17(13)25)23(29)27-11-10-16-19(12-27)33-22(20(16)24(30)31)26-21(28)15-6-3-4-9-18(15)32-2/h3-9H,10-12H2,1-2H3,(H,26,28)(H,30,31).
What are the key properties of 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 468.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methylbenzoyl)-2-[(2-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 59124698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).