N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide

C19H19N3O3S — CID 43950822

IUPACN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C(C)Oc3ccccc3)c2C#N)C1
InChIInChI=1S/C19H19N3O3S/c1-12(25-14-6-4-3-5-7-14)18(24)21-19-16(10-20)15-8-9-22(13(2)23)11-17(15)26-19/h3-7,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyLZBCUSHEFGHQOE-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.93
Rot. Bonds4

About N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide

N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide (PubChem CID 43950822) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide
PubChem CID43950822
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide
SMILESCC(=O)N1CCc2c(sc(NC(=O)C(C)Oc3ccccc3)c2C#N)C1
InChIInChI=1S/C19H19N3O3S/c1-12(25-14-6-4-3-5-7-14)18(24)21-19-16(10-20)15-8-9-22(13(2)23)11-17(15)26-19/h3-7,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyLZBCUSHEFGHQOE-UHFFFAOYSA-N
XLogP2.93
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide with MolForge

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Related Compounds

methyl 3-cyano-2-(2-methylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7589093
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methylsulfanylbenzamide
CID 7266903
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloroacetamide
CID 71668774
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloropropanamide
CID 71300009
N-[3-[1-[(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-3-methoxybenzamide
CID 18909786
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-chlorophenoxy)acetamide
CID 4159562
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,4-dimethylbenzamide
CID 5186248
methyl 3-cyano-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 7589108
(3R)-N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7163912
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)cyclopentanecarboxamide
CID 43950811
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,4-difluorobenzamide
CID 43950810
ethyl 3-cyano-2-[(4-propan-2-yloxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3530539

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide?
The IUPAC name of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide (CID 43950822) is N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide is CC(=O)N1CCc2c(sc(NC(=O)C(C)Oc3ccccc3)c2C#N)C1.
What is the InChIKey of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide?
The InChIKey is LZBCUSHEFGHQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12(25-14-6-4-3-5-7-14)18(24)21-19-16(10-20)15-8-9-22(13(2)23)11-17(15)26-19/h3-7,12H,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide?
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide has a molecular weight of 369.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 43950822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).