N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide

C26H28N2O2S — CID 20964320

IUPACN-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide
SMILESCCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C(C)=O)cc1)C2c1ccccc1
InChIInChI=1S/C26H28N2O2S/c1-4-22-18(3)31-26-23(22)14-15-28(25(26)20-8-6-5-7-9-20)16-24(30)27-21-12-10-19(11-13-21)17(2)29/h5-13,25H,4,14-16H2,1-3H3,(H,27,30)
InChIKeyIWYDHRGHVKOWIM-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.41
Rot. Bonds6

About N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide

N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide (PubChem CID 20964320) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide
PubChem CID20964320
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC NameN-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide
SMILESCCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C(C)=O)cc1)C2c1ccccc1
InChIInChI=1S/C26H28N2O2S/c1-4-22-18(3)31-26-23(22)14-15-28(25(26)20-8-6-5-7-9-20)16-24(30)27-21-12-10-19(11-13-21)17(2)29/h5-13,25H,4,14-16H2,1-3H3,(H,27,30)
InChIKeyIWYDHRGHVKOWIM-UHFFFAOYSA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[(7S)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]acetamide
CID 92711438
(7S)-N-(4-bromophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711660
N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964439
(7S)-6-[(4-ethenylphenyl)methyl]-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 92502163
N-(4-methylphenyl)-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25492704
N-(4-bromo-2-fluorophenyl)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964435
3-ethyl-N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964448
N-(4-methylphenyl)-2-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55601063
N-(4-bromophenyl)-3-ethyl-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964455
(7S)-N-benzyl-3-ethyl-7-(4-fluorophenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 92711818
N-phenyl-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25479842
3-ethyl-N-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 20964447

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide (CID 20964320) is N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide is CCc1c(C)sc2c1CCN(CC(=O)Nc1ccc(C(C)=O)cc1)C2c1ccccc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide?
The InChIKey is IWYDHRGHVKOWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-4-22-18(3)31-26-23(22)14-15-28(25(26)20-8-6-5-7-9-20)16-24(30)27-21-12-10-19(11-13-21)17(2)29/h5-13,25H,4,14-16H2,1-3H3,(H,27,30).
What are the key properties of N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide?
N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide has a molecular weight of 432.59 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 20964320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).