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

C19H22N2O4S — CID 28860916

IUPAC2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(=O)O)CCN(C)C3)c1
InChIInChI=1S/C19H22N2O4S/c1-11-4-5-12(2)14(8-11)25-10-16(22)20-18-17(19(23)24)13-6-7-21(3)9-15(13)26-18/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyIKXPSDJESRKODB-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.07
Rot. Bonds5

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

2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (PubChem CID 28860916) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
PubChem CID28860916
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
SMILESCc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(=O)O)CCN(C)C3)c1
InChIInChI=1S/C19H22N2O4S/c1-11-4-5-12(2)14(8-11)25-10-16(22)20-18-17(19(23)24)13-6-7-21(3)9-15(13)26-18/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyIKXPSDJESRKODB-UHFFFAOYSA-N
XLogP3.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860284
ethyl 6-methyl-2-[[2-(2-methylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950123
methyl 2-[[2-(2-methylphenoxy)acetyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950125
2-(2,2-dimethylpropanoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860789
2-[[2-(3-methoxyphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 28860277
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1038500
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 35687500
6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860971
2-(2,5-dimethylphenoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 39726745
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 2670259
6-methyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4231286
ethyl 6-methyl-2-[3-(4-methylphenyl)sulfonylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 41151553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid (CID 28860916) is 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is Cc1ccc(C)c(OCC(=O)Nc2sc3c(c2C(=O)O)CCN(C)C3)c1.
What is the InChIKey of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is IKXPSDJESRKODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-11-4-5-12(2)14(8-11)25-10-16(22)20-18-17(19(23)24)13-6-7-21(3)9-15(13)26-18/h4-5,8H,6-7,9-10H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid?
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 374.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 28860916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).