4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C19H16N2O2S — CID 155553624

IUPAC4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)C1Cc2c(-c3ccccc3)ccnc2O1
InChIInChI=1S/C19H16N2O2S/c22-18(21-12-14-7-4-10-24-14)17-11-16-15(8-9-20-19(16)23-17)13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,21,22)
InChIKeyHJJMDGYILLZUQG-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.43
Rot. Bonds4

About 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 155553624) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID155553624
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESO=C(NCc1cccs1)C1Cc2c(-c3ccccc3)ccnc2O1
InChIInChI=1S/C19H16N2O2S/c22-18(21-12-14-7-4-10-24-14)17-11-16-15(8-9-20-19(16)23-17)13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,21,22)
InChIKeyHJJMDGYILLZUQG-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46943751
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
N-[(1R,2S)-2-(thiophen-2-ylmethylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
CID 91913030
(2R,3S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635846
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
4-methoxy-2-phenyl-N-(thiophen-2-ylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
CID 146073862
1-(6-phenylpyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30360575
(1R,2S,3R,4S)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 11922509
(1S,2R,3S,4R)-3-(thiophen-2-ylmethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6945334

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 155553624) is 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is O=C(NCc1cccs1)C1Cc2c(-c3ccccc3)ccnc2O1.
What is the InChIKey of 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is HJJMDGYILLZUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-18(21-12-14-7-4-10-24-14)17-11-16-15(8-9-20-19(16)23-17)13-5-2-1-3-6-13/h1-10,17H,11-12H2,(H,21,22).
What are the key properties of 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(thiophen-2-ylmethyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155553624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).