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

C18H19N3O2S — CID 3486189

IUPACN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
SMILESCN1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C#N)C1
InChIInChI=1S/C18H19N3O2S/c1-21-9-7-14-15(11-19)18(24-16(14)12-21)20-17(22)8-10-23-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,20,22)
InChIKeyJFEHOZWRLOIRHF-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.02
Rot. Bonds5

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

N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide (PubChem CID 3486189) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
PubChem CID3486189
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide
SMILESCN1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C#N)C1
InChIInChI=1S/C18H19N3O2S/c1-21-9-7-14-15(11-19)18(24-16(14)12-21)20-17(22)8-10-23-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,20,22)
InChIKeyJFEHOZWRLOIRHF-UHFFFAOYSA-N
XLogP3.02
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 3-cyano-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4122296
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[methyl(2-phenoxyethyl)amino]propanamide
CID 8797523
6-ethyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861053
methyl 6-ethyl-2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4660476
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 30715421
6-O-ethyl 3-O-methyl 2-(3-phenoxypropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 4188708
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 3251021
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-butoxybenzamide
CID 5130639
ethyl 3-cyano-2-[(2-phenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 3316497
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylsulfanylpropanamide
CID 4684725
N-[3-cyano-6-(3-hydroxypropanoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-3-phenylpropanamide
CID 59301577
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide;hydrochloride
CID 16798207

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide?
The IUPAC name of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide (CID 3486189) is N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide is CN1CCc2c(sc(NC(=O)CCOc3ccccc3)c2C#N)C1.
What is the InChIKey of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide?
The InChIKey is JFEHOZWRLOIRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-21-9-7-14-15(11-19)18(24-16(14)12-21)20-17(22)8-10-23-13-5-3-2-4-6-13/h2-6H,7-10,12H2,1H3,(H,20,22).
What are the key properties of N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide?
N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide has a molecular weight of 341.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenoxypropanamide is sourced from PubChem (CID 3486189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).