N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

C24H22F2N2O2S — CID 45376387

IUPACN-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C24H22F2N2O2S/c25-19-7-6-16(14-20(19)26)15-27-22(29)8-9-23(30)28-12-10-21-18(11-13-31-21)24(28)17-4-2-1-3-5-17/h1-7,11,13-14,24H,8-10,12,15H2,(H,27,29)
InChIKeyZCHDKNZOBWOKIQ-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.60
Rot. Bonds6

About N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide

N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (PubChem CID 45376387) has the molecular formula C24H22F2N2O2S and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
PubChem CID45376387
Molecular FormulaC24H22F2N2O2S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide
SMILESO=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)NCc1ccc(F)c(F)c1
InChIInChI=1S/C24H22F2N2O2S/c25-19-7-6-16(14-20(19)26)15-27-22(29)8-9-23(30)28-12-10-21-18(11-13-31-21)24(28)17-4-2-1-3-5-17/h1-7,11,13-14,24H,8-10,12,15H2,(H,27,29)
InChIKeyZCHDKNZOBWOKIQ-UHFFFAOYSA-N
XLogP4.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-oxo-4-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]butanamide
CID 129384265
4-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[2-(3,4-dichlorophenyl)ethyl]-4-oxobutanamide
CID 67359650
1-[4-[4-[(3,4-difluorophenyl)methylamino]phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 46962428
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-(2-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 67377283
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
4-(2-methyl-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 45377742
N-(3,3-diphenylpropyl)-4-[4-(3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 45377322
N-(2-chlorophenyl)-4-[4-(3-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-4-oxobutanamide
CID 67358697
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
N-[4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butyl]furan-2-carboxamide
CID 42890950

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide (CID 45376387) is N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is O=C(CCC(=O)N1CCc2sccc2C1c1ccccc1)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
The InChIKey is ZCHDKNZOBWOKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2S/c25-19-7-6-16(14-20(19)26)15-27-22(29)8-9-23(30)28-12-10-21-18(11-13-31-21)24(28)17-4-2-1-3-5-17/h1-7,11,13-14,24H,8-10,12,15H2,(H,27,29).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide?
N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide has a molecular weight of 440.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanamide is sourced from PubChem (CID 45376387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).