6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C17H14N2O6S — CID 10872447

IUPAC6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C17H14N2O6S/c20-13(17(24)25)18-14-12(16(22)23)10-6-7-19(8-11(10)26-14)15(21)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,18,20)(H,22,23)(H,24,25)
InChIKeyUQHANDAFROVXQU-UHFFFAOYSA-N
MW374.37 g/mol
LogP1.67
Rot. Bonds3

About 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 10872447) has the molecular formula C17H14N2O6S and a molecular weight of 374.37 g/mol. Its IUPAC name is 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID10872447
Molecular FormulaC17H14N2O6S
Molecular Weight374.37 g/mol
Exact Mass374.06
IUPAC Name6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C17H14N2O6S/c20-13(17(24)25)18-14-12(16(22)23)10-6-7-19(8-11(10)26-14)15(21)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,18,20)(H,22,23)(H,24,25)
InChIKeyUQHANDAFROVXQU-UHFFFAOYSA-N
XLogP1.67
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 57384497
6-(2-methylpropanoyl)-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124718
6-(1-benzothiophene-2-carbonyl)-2-[(3-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124773
2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124624
6-acetyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861161
2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124678
2-[(2-chlorobenzoyl)amino]-6-(2,3-dimethoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124682
6-acetyl-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861122
6-acetyl-2-[(2,2,2-trifluoroacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861207
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861124
methyl 3-carbamoyl-2-[(3-phenoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018127

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 10872447) is 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is UQHANDAFROVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6S/c20-13(17(24)25)18-14-12(16(22)23)10-6-7-19(8-11(10)26-14)15(21)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,18,20)(H,22,23)(H,24,25).
What are the key properties of 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 10872447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).