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

C17H15F3N2O3S — CID 28860971

IUPAC6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C(=O)O)C1
InChIInChI=1S/C17H15F3N2O3S/c1-22-7-6-11-12(8-22)26-15(13(11)16(24)25)21-14(23)9-2-4-10(5-3-9)17(18,19)20/h2-5H,6-8H2,1H3,(H,21,23)(H,24,25)
InChIKeyUWIUNEZWYTVVLZ-UHFFFAOYSA-N
MW384.38 g/mol
LogP3.71
Rot. Bonds3

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

6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 28860971) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID28860971
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC Name6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCN1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C(=O)O)C1
InChIInChI=1S/C17H15F3N2O3S/c1-22-7-6-11-12(8-22)26-15(13(11)16(24)25)21-14(23)9-2-4-10(5-3-9)17(18,19)20/h2-5H,6-8H2,1H3,(H,21,23)(H,24,25)
InChIKeyUWIUNEZWYTVVLZ-UHFFFAOYSA-N
XLogP3.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-[(4-fluorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4120098
2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860897
2-(2,2-dimethylpropanoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860789
6-acetyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861161
methyl 6-methyl-2-[(4-nitrobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3602693
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3293195
ethyl 6-benzyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 121023558
ethyl 2-[(4-ethoxybenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973287
2-[(3,5-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4091163
2-[(4-tert-butylbenzoyl)amino]-6-[3-(3,4-difluorophenyl)propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124625
4-(dimethylsulfamoyl)-N-[6-methyl-3-(pyrrolidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23732514

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 28860971) is 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is CN1CCc2c(sc(NC(=O)c3ccc(C(F)(F)F)cc3)c2C(=O)O)C1.
What is the InChIKey of 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is UWIUNEZWYTVVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-22-7-6-11-12(8-22)26-15(13(11)16(24)25)21-14(23)9-2-4-10(5-3-9)17(18,19)20/h2-5H,6-8H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 384.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 28860971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).