N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide

C22H16N2O2S — CID 54717219

IUPACN-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC=C(c1ccccc1)c1ccccc1)c1sc2ncccc2c1O
InChIInChI=1S/C22H16N2O2S/c25-19-17-12-7-13-23-22(17)27-20(19)21(26)24-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,25H,(H,24,26)
InChIKeyQLVYGXQDZDEMDG-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.82
Rot. Bonds4

About N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide

N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 54717219) has the molecular formula C22H16N2O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID54717219
Molecular FormulaC22H16N2O2S
Molecular Weight372.45 g/mol
Exact Mass372.09
IUPAC NameN-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC=C(c1ccccc1)c1ccccc1)c1sc2ncccc2c1O
InChIInChI=1S/C22H16N2O2S/c25-19-17-12-7-13-23-22(17)27-20(19)21(26)24-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,25H,(H,24,26)
InChIKeyQLVYGXQDZDEMDG-UHFFFAOYSA-N
XLogP4.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenone(7)', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 54710086
N-(2-chlorophenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
CID 54690353
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823
2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
CID 139601090
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid
CID 139601052
3-amino-N-[(E)-naphthalen-1-ylmethylideneamino]thieno[2,3-b]pyridine-2-carboxamide
CID 54585208
2-phenyldiazenylthieno[2,3-b]pyridin-3-ol
CID 137227991
(E)-3-phenyl-1-(3-phenylthieno[2,3-b]pyridin-2-yl)prop-2-en-1-one
CID 58026323
3-amino-N-(2-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316339
methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate;pyridine
CID 160853346
3-amino-N-[2-(carbamoylamino)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 83117309

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide (CID 54717219) is N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide is O=C(NC=C(c1ccccc1)c1ccccc1)c1sc2ncccc2c1O.
What is the InChIKey of N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QLVYGXQDZDEMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2S/c25-19-17-12-7-13-23-22(17)27-20(19)21(26)24-14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-14,25H,(H,24,26).
What are the key properties of N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide?
N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 54717219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).