methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate

C19H16N2O3S — CID 52950113

IUPACmethyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)18-16(8-11-25-18)21-17(22)12-13-2-4-14(5-3-13)15-6-9-20-10-7-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyWHORUVUQHFFPNW-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.78
Rot. Bonds5

About methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 52950113) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate
PubChem CID52950113
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)18-16(8-11-25-18)21-17(22)12-13-2-4-14(5-3-13)15-6-9-20-10-7-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyWHORUVUQHFFPNW-UHFFFAOYSA-N
XLogP3.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
3-[[[2-(3-Methylphenyl)-4-quinolinyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 1220098
Methyl 2-[2-(pyridin-2-ylsulfanyl)acetamido]benzoate
CID 667093
Methyl 3-(isonicotinamido)thiophene-2-carboxylate
CID 897624
Methyl 4-methyl-2-(2-(4-(pyridin-4-yl)phenyl)acetamido)thiophene-3-carboxylate
CID 45104966
Methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]benzoate
CID 46897356
Methyl 4-[[2-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]thiophene-3-carboxylate;dihydrochloride
CID 69442708
4-[[2-[5-(Aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]acetyl]amino]thiophene-3-carboxylic acid;dihydrochloride
CID 69445419
Ethyl 2-amino-4-(pyridin-4-yl)thiophene-3-carboxylate
CID 874726
Ethyl 5'-(isonicotinamido)-[2,3'-bithiophene]-4'-carboxylate
CID 661910
Methyl 3-({[2-(4-methylphenyl)-4-quinolinyl]carbonyl}amino)-2-thiophenecarboxylate
CID 1008732
Methyl 2-(pyridine-3-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 1277419

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate (CID 52950113) is methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cc1ccc(-c2ccncc2)cc1.
What is the InChIKey of methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is WHORUVUQHFFPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-19(23)18-16(8-11-25-18)21-17(22)12-13-2-4-14(5-3-13)15-6-9-20-10-7-15/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 352.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-pyridin-4-ylphenyl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 52950113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).