3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide

C19H23N3O2S — CID 18142694

IUPAC3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)N1CCc2sccc2C1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c20-18(23)7-9-21(12-15-4-2-1-3-5-15)14-19(24)22-10-6-17-16(13-22)8-11-25-17/h1-5,8,11H,6-7,9-10,12-14H2,(H2,20,23)
InChIKeyXRQDEMLUXQRYQI-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.01
Rot. Bonds7

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

3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide (PubChem CID 18142694) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide
PubChem CID18142694
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide
SMILESNC(=O)CCN(CC(=O)N1CCc2sccc2C1)Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c20-18(23)7-9-21(12-15-4-2-1-3-5-15)14-19(24)22-10-6-17-16(13-22)8-11-25-17/h1-5,8,11H,6-7,9-10,12-14H2,(H2,20,23)
InChIKeyXRQDEMLUXQRYQI-UHFFFAOYSA-N
XLogP2.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]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

3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]propanamide
CID 41361089
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(propyl)amino]ethanone
CID 60774931
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
2-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-methylamino]acetic acid;hydrochloride
CID 56813164
3-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 109023028
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(2-phenylethyl)butanamide;hydrochloride
CID 120886789
2-[(3-amino-4-methylpentyl)-methylamino]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 81496619
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]ethanone
CID 111107273
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[2-hydroxyethyl(pentan-3-yl)amino]ethanone
CID 62016465
1-(4-benzylsulfonylpiperazin-1-yl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 55883518
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990761
3-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanoic acid
CID 43466234

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide?
The IUPAC name of 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide (CID 18142694) is 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide?
The canonical SMILES for 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide is NC(=O)CCN(CC(=O)N1CCc2sccc2C1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide?
The InChIKey is XRQDEMLUXQRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c20-18(23)7-9-21(12-15-4-2-1-3-5-15)14-19(24)22-10-6-17-16(13-22)8-11-25-17/h1-5,8,11H,6-7,9-10,12-14H2,(H2,20,23).
What are the key properties of 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide?
3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide has a molecular weight of 357.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 18142694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).