N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide

C18H14N2O2S — CID 171522179

IUPACN-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide
SMILESC=Cc1c(C(=O)Nc2ccc(C(C)=O)cc2)sc2ncccc12
InChIInChI=1S/C18H14N2O2S/c1-3-14-15-5-4-10-19-18(15)23-16(14)17(22)20-13-8-6-12(7-9-13)11(2)21/h3-10H,1H2,2H3,(H,20,22)
InChIKeyAWGPSBRCZMYOAE-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.39
Rot. Bonds4

About N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide

N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 171522179) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID171522179
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC NameN-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide
SMILESC=Cc1c(C(=O)Nc2ccc(C(C)=O)cc2)sc2ncccc12
InChIInChI=1S/C18H14N2O2S/c1-3-14-15-5-4-10-19-18(15)23-16(14)17(22)20-13-8-6-12(7-9-13)11(2)21/h3-10H,1H2,2H3,(H,20,22)
InChIKeyAWGPSBRCZMYOAE-UHFFFAOYSA-N
XLogP4.39
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

A-794282
CID 11530404
4-[(4-Phenylphenyl)amino]thieno[2,3-c]pyridine-2-carboxamide
CID 25218748
5-(4-Bromophenyl)-13-(methylamino)-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 15953801
5-(4-Methylphenyl)-13-(2-methylprop-2-enylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 54585405
N-[4-(pyridine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 1511238
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carboxamide
CID 750059
3-amino-N-(2-fluorophenyl)-6-(3-pyridinyl)-2-thieno[2,3-b]pyridinecarboxamide
CID 1962617
3-amino-N-(4-methylphenyl)-6-pyridin-4-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086314
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)nicotinamide
CID 722715
3-amino-4,6-dimethyl-N-(4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 734382
3-Amino-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxamide
CID 759785

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide (CID 171522179) is N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide is C=Cc1c(C(=O)Nc2ccc(C(C)=O)cc2)sc2ncccc12.
What is the InChIKey of N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AWGPSBRCZMYOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-3-14-15-5-4-10-19-18(15)23-16(14)17(22)20-13-8-6-12(7-9-13)11(2)21/h3-10H,1H2,2H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide?
N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-ethenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 171522179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).