N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

C21H21FN2OS2 — CID 24568267

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCc3sccc3C2c2cccs2)cc1F
InChIInChI=1S/C21H21FN2OS2/c1-14-4-5-15(11-17(14)22)12-23-20(25)13-24-8-6-18-16(7-10-27-18)21(24)19-3-2-9-26-19/h2-5,7,9-11,21H,6,8,12-13H2,1H3,(H,23,25)
InChIKeyHKQIBSWMZDYMFL-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 24568267) has the molecular formula C21H21FN2OS2 and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID24568267
Molecular FormulaC21H21FN2OS2
Molecular Weight400.54 g/mol
Exact Mass400.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
SMILESCc1ccc(CNC(=O)CN2CCc3sccc3C2c2cccs2)cc1F
InChIInChI=1S/C21H21FN2OS2/c1-14-4-5-15(11-17(14)22)12-23-20(25)13-24-8-6-18-16(7-10-27-18)21(24)19-3-2-9-26-19/h2-5,7,9-11,21H,6,8,12-13H2,1H3,(H,23,25)
InChIKeyHKQIBSWMZDYMFL-UHFFFAOYSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128720
2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9129325
methyl 4-[[2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]butanoate
CID 9129396
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 25445780
N-(methylcarbamoyl)-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129159
N-(2,3-dimethylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128676
N-(3-methylphenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128705
N-(3-fluorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129014
N-carbamoyl-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26671732
N-(3-phenylmethoxypropyl)-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 24568266
N-(cyclohexylmethyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9128652
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 11936885

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide (CID 24568267) is N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is Cc1ccc(CNC(=O)CN2CCc3sccc3C2c2cccs2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is HKQIBSWMZDYMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2OS2/c1-14-4-5-15(11-17(14)22)12-23-20(25)13-24-8-6-18-16(7-10-27-18)21(24)19-3-2-9-26-19/h2-5,7,9-11,21H,6,8,12-13H2,1H3,(H,23,25).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 24568267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).