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

C16H22N2O4S — CID 28861124

IUPAC6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCC(CC)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(C)=O)C2
InChIInChI=1S/C16H22N2O4S/c1-4-10(5-2)14(20)17-15-13(16(21)22)11-6-7-18(9(3)19)8-12(11)23-15/h10H,4-8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyIITRSJPHNXEIFT-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.73
Rot. Bonds5

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

6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 28861124) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID28861124
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCCC(CC)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(C)=O)C2
InChIInChI=1S/C16H22N2O4S/c1-4-10(5-2)14(20)17-15-13(16(21)22)11-6-7-18(9(3)19)8-12(11)23-15/h10H,4-8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyIITRSJPHNXEIFT-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
6-acetyl-2-[(4-fluorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861161
6-acetyl-2-(cyclohexanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861132
2-(2-ethylbutanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2080991
ethyl 6-acetyl-2-[(3,5-dimethylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950200
(E)-4-[(6-acetyl-3-ethoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-4-oxobut-2-enoic acid
CID 7172603
6-acetyl-2-[(4-acetylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3388169
methyl 6-acetyl-2-(2,2-dimethylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3637851
2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 57384497
ethyl 6-acetyl-2-[2-(3-aminophenyl)sulfanylbutanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 18894616
4-[(6-acetyl-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-4-oxobut-2-enoic acid
CID 7454623

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 28861124) is 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is CCC(CC)C(=O)Nc1sc2c(c1C(=O)O)CCN(C(C)=O)C2.
What is the InChIKey of 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is IITRSJPHNXEIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-4-10(5-2)14(20)17-15-13(16(21)22)11-6-7-18(9(3)19)8-12(11)23-15/h10H,4-8H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 338.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 28861124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).