1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone

C21H28N2OS — CID 7360793

IUPAC1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCc2sccc2[C@H]1c1ccccc1C
InChIInChI=1S/C21H28N2OS/c1-3-4-7-12-22-15-20(24)23-13-10-19-18(11-14-25-19)21(23)17-9-6-5-8-16(17)2/h5-6,8-9,11,14,21-22H,3-4,7,10,12-13,15H2,1-2H3/t21-/m1/s1
InChIKeyUFKGKROPRLJXAK-OAQYLSRUSA-N
MW356.54 g/mol
LogP4.31
Rot. Bonds7

About 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone

1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone (PubChem CID 7360793) has the molecular formula C21H28N2OS and a molecular weight of 356.54 g/mol. Its IUPAC name is 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
PubChem CID7360793
Molecular FormulaC21H28N2OS
Molecular Weight356.54 g/mol
Exact Mass356.19
IUPAC Name1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCc2sccc2[C@H]1c1ccccc1C
InChIInChI=1S/C21H28N2OS/c1-3-4-7-12-22-15-20(24)23-13-10-19-18(11-14-25-19)21(23)17-9-6-5-8-16(17)2/h5-6,8-9,11,14,21-22H,3-4,7,10,12-13,15H2,1-2H3/t21-/m1/s1
InChIKeyUFKGKROPRLJXAK-OAQYLSRUSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone
CID 7360795
2-(ethylamino)-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7271417
2-[[(2S)-butan-2-yl]amino]-1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7283552
butyl-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]azanium
CID 7495306
2-(cyclohexylamino)-1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7397531
N-butyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]hexanamide
CID 4310031
N-ethyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]decanamide
CID 5179653
N-[2-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-pentylnonanamide
CID 98403289
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 7237818
N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-yldecanamide
CID 3269836
2-(3-ethoxypropylamino)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42773661
3-methyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-pentylbutanamide
CID 42779513

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone?
The IUPAC name of 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone (CID 7360793) is 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone.
What is the SMILES notation for 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone?
The canonical SMILES for 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone is CCCCCNCC(=O)N1CCc2sccc2[C@H]1c1ccccc1C.
What is the InChIKey of 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone?
The InChIKey is UFKGKROPRLJXAK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-3-4-7-12-22-15-20(24)23-13-10-19-18(11-14-25-19)21(23)17-9-6-5-8-16(17)2/h5-6,8-9,11,14,21-22H,3-4,7,10,12-13,15H2,1-2H3/t21-/m1/s1.
What are the key properties of 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone?
1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone has a molecular weight of 356.54 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-(pentylamino)ethanone is sourced from PubChem (CID 7360793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).