N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide

C22H22N2O3S — CID 42890950

IUPACN-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCc2sccc2C1c1ccccc1)c1ccco1
InChIInChI=1S/C22H22N2O3S/c25-20(9-4-12-23-22(26)18-8-5-14-27-18)24-13-10-19-17(11-15-28-19)21(24)16-6-2-1-3-7-16/h1-3,5-8,11,14-15,21H,4,9-10,12-13H2,(H,23,26)
InChIKeyZSTULUMLGOMKME-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.03
Rot. Bonds6

About N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide

N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide (PubChem CID 42890950) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
PubChem CID42890950
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
SMILESO=C(NCCCC(=O)N1CCc2sccc2C1c1ccccc1)c1ccco1
InChIInChI=1S/C22H22N2O3S/c25-20(9-4-12-23-22(26)18-8-5-14-27-18)24-13-10-19-17(11-15-28-19)21(24)16-6-2-1-3-7-16/h1-3,5-8,11,14-15,21H,4,9-10,12-13H2,(H,23,26)
InChIKeyZSTULUMLGOMKME-UHFFFAOYSA-N
XLogP4.03
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

furan-2-yl-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 26004409
N-[4-oxo-4-(2-phenylpyrrolidin-1-yl)butyl]furan-2-carboxamide
CID 51318960
N-[(2R)-1-oxo-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-2-yl]furan-2-carboxamide
CID 94443674
N,N-dibenzyl-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 67357373
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]furan-2-carboxamide
CID 35811729
2-(tert-butylamino)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283208
N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
CID 45376387

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide?
The IUPAC name of N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide (CID 42890950) is N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide?
The canonical SMILES for N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide is O=C(NCCCC(=O)N1CCc2sccc2C1c1ccccc1)c1ccco1.
What is the InChIKey of N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide?
The InChIKey is ZSTULUMLGOMKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-20(9-4-12-23-22(26)18-8-5-14-27-18)24-13-10-19-17(11-15-28-19)21(24)16-6-2-1-3-7-16/h1-3,5-8,11,14-15,21H,4,9-10,12-13H2,(H,23,26).
What are the key properties of N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide?
N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide is sourced from PubChem (CID 42890950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).