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

C18H21N3O2S — CID 24674437

IUPACN-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-4-2-1-3-5-14)7-10-21-9-6-16-15(13-21)8-11-24-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,20,22,23)
InChIKeyMYTPSVNDWICJSS-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.52
Rot. Bonds5

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

N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (PubChem CID 24674437) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
PubChem CID24674437
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
SMILESO=C(CCN1CCc2sccc2C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-4-2-1-3-5-14)7-10-21-9-6-16-15(13-21)8-11-24-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,20,22,23)
InChIKeyMYTPSVNDWICJSS-UHFFFAOYSA-N
XLogP2.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137945
N-(benzylcarbamoyl)-3-(4-benzylpiperazin-1-yl)propanamide
CID 46551381
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-naphthalen-1-ylpropanamide
CID 24596310
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-phenylphenyl)propanamide
CID 24596314
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
CID 146126778
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 60569564
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(2-nitrophenyl)acetamide
CID 60569299
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide (CID 24674437) is N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is O=C(CCN1CCc2sccc2C1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
The InChIKey is MYTPSVNDWICJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-4-2-1-3-5-14)7-10-21-9-6-16-15(13-21)8-11-24-16/h1-5,8,11H,6-7,9-10,12-13H2,(H2,19,20,22,23).
What are the key properties of N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide?
N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide has a molecular weight of 343.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide is sourced from PubChem (CID 24674437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).