2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

C23H22N2O4S2 — CID 59124642

IUPAC2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCN(C(=O)c2sccc2C)C3)cc1
InChIInChI=1S/C23H22N2O4S2/c1-3-14-4-6-15(7-5-14)20(26)24-21-18(23(28)29)16-8-10-25(12-17(16)31-21)22(27)19-13(2)9-11-30-19/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,24,26)(H,28,29)
InChIKeyXTIFJLWLVAPCFT-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.83
Rot. Bonds5

About 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 59124642) has the molecular formula C23H22N2O4S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID59124642
Molecular FormulaC23H22N2O4S2
Molecular Weight454.57 g/mol
Exact Mass454.10
IUPAC Name2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCN(C(=O)c2sccc2C)C3)cc1
InChIInChI=1S/C23H22N2O4S2/c1-3-14-4-6-15(7-5-14)20(26)24-21-18(23(28)29)16-8-10-25(12-17(16)31-21)22(27)19-13(2)9-11-30-19/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,24,26)(H,28,29)
InChIKeyXTIFJLWLVAPCFT-UHFFFAOYSA-N
XLogP4.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoro-2-methylbenzoyl)-2-[(4-propylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 10096694
6-acetyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861161
ethyl 3-carbamoyl-2-[(3,4-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4607028
diethyl 2-[(4-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 5115016
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
6-O-ethyl 3-O-methyl 2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4641772
diethyl 2-[(4-ethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4609280
methyl 2-[(4-benzylbenzoyl)amino]-3-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 41018196
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
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
6-O-ethyl 3-O-methyl 2-[(4-ethylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41044410
6-(2-methylpropanoyl)-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 59124642) is 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is CCc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCN(C(=O)c2sccc2C)C3)cc1.
What is the InChIKey of 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is XTIFJLWLVAPCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S2/c1-3-14-4-6-15(7-5-14)20(26)24-21-18(23(28)29)16-8-10-25(12-17(16)31-21)22(27)19-13(2)9-11-30-19/h4-7,9,11H,3,8,10,12H2,1-2H3,(H,24,26)(H,28,29).
What are the key properties of 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 454.57 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 59124642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).