(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide

C17H19FN2OS — CID 41367549

IUPAC(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C17H19FN2OS/c1-12(20-8-6-16-14(11-20)7-9-22-16)17(21)19-10-13-2-4-15(18)5-3-13/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyJQKNSOVNAJKGGX-LBPRGKRZSA-N
MW318.42 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide

(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 41367549) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID41367549
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide
SMILESC[C@@H](C(=O)NCc1ccc(F)cc1)N1CCc2sccc2C1
InChIInChI=1S/C17H19FN2OS/c1-12(20-8-6-16-14(11-20)7-9-22-16)17(21)19-10-13-2-4-15(18)5-3-13/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyJQKNSOVNAJKGGX-LBPRGKRZSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide 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

(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 37057679
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanoic acid
CID 43101067
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-methylphenyl)propanamide
CID 41367120
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylsulfanylphenyl)propanamide
CID 41361300
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580
1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231015
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
2-(4-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]acetamide
CID 119856322

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide (CID 41367549) is (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide is C[C@@H](C(=O)NCc1ccc(F)cc1)N1CCc2sccc2C1.
What is the InChIKey of (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is JQKNSOVNAJKGGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-12(20-8-6-16-14(11-20)7-9-22-16)17(21)19-10-13-2-4-15(18)5-3-13/h2-5,7,9,12H,6,8,10-11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide?
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 41367549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).