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

C24H28N2O4S — CID 59124678

IUPAC2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)N1CCc2c(sc(NC(=O)CCC3CCCC3)c2C(=O)O)C1
InChIInChI=1S/C24H28N2O4S/c1-15-6-2-5-9-17(15)23(28)26-13-12-18-19(14-26)31-22(21(18)24(29)30)25-20(27)11-10-16-7-3-4-8-16/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,25,27)(H,29,30)
InChIKeyYXQHFPOGMPUYGA-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.86
Rot. Bonds6

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

2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 59124678) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID59124678
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1ccccc1C(=O)N1CCc2c(sc(NC(=O)CCC3CCCC3)c2C(=O)O)C1
InChIInChI=1S/C24H28N2O4S/c1-15-6-2-5-9-17(15)23(28)26-13-12-18-19(14-26)31-22(21(18)24(29)30)25-20(27)11-10-16-7-3-4-8-16/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,25,27)(H,29,30)
InChIKeyYXQHFPOGMPUYGA-UHFFFAOYSA-N
XLogP4.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

ethyl 3-carbamoyl-2-[(2-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3320130
6-(2,4-dimethylbenzoyl)-2-(3,5,5-trimethylhexanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124645
2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 903693
6-benzoyl-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 10872447
2-[(4-ethylbenzoyl)amino]-6-(3-methylthiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124642
methyl 6-acetyl-2-(3-phenylsulfanylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3419733
2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 57384497
6-acetyl-2-(cyclohexanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861132
6-(3-fluoro-2-methylbenzoyl)-2-[(4-propylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 10096694
2-[(3-methoxybenzoyl)amino]-6-[2-(trifluoromethyl)benzoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124624
6-O-ethyl 3-O-methyl 2-[(2-cyclohexylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 43993294
2-[(2-chlorobenzoyl)amino]-6-(2,3-dimethoxybenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124682

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 59124678) is 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is Cc1ccccc1C(=O)N1CCc2c(sc(NC(=O)CCC3CCCC3)c2C(=O)O)C1.
What is the InChIKey of 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is YXQHFPOGMPUYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-15-6-2-5-9-17(15)23(28)26-13-12-18-19(14-26)31-22(21(18)24(29)30)25-20(27)11-10-16-7-3-4-8-16/h2,5-6,9,16H,3-4,7-8,10-14H2,1H3,(H,25,27)(H,29,30).
What are the key properties of 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 440.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropanoylamino)-6-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 59124678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).