N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide

C28H32N2O3S — CID 4599489

IUPACN-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C28H32N2O3S/c1-21-8-11-23(12-9-21)28-24-15-19-34-25(24)14-16-30(28)27(32)20-29(17-18-33-2)26(31)13-10-22-6-4-3-5-7-22/h3-9,11-12,15,19,28H,10,13-14,16-18,20H2,1-2H3
InChIKeyKVIFSWNULIKBKB-UHFFFAOYSA-N
MW476.64 g/mol
LogP4.64
Rot. Bonds9

About N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide

N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide (PubChem CID 4599489) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide
PubChem CID4599489
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C28H32N2O3S/c1-21-8-11-23(12-9-21)28-24-15-19-34-25(24)14-16-30(28)27(32)20-29(17-18-33-2)26(31)13-10-22-6-4-3-5-7-22/h3-9,11-12,15,19,28H,10,13-14,16-18,20H2,1-2H3
InChIKeyKVIFSWNULIKBKB-UHFFFAOYSA-N
XLogP4.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide 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-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7265309
N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]heptanamide
CID 4210819
2-methoxy-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3963088
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide
CID 3665663
2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]acetamide
CID 7396506
N-(2-methoxyethyl)-2,2-dimethyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7364620
2-(4-fluorophenyl)-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3999450
N-(2-methoxyethyl)-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylacetamide
CID 3548606
N-[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)butanamide
CID 7297701
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
CID 5240753
N-(3-methoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 3421553
4-ethyl-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 4692315

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide (CID 4599489) is N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide is COCCN(CC(=O)N1CCc2sccc2C1c1ccc(C)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is KVIFSWNULIKBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-21-8-11-23(12-9-21)28-24-15-19-34-25(24)14-16-30(28)27(32)20-29(17-18-33-2)26(31)13-10-22-6-4-3-5-7-22/h3-9,11-12,15,19,28H,10,13-14,16-18,20H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide?
N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 476.64 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 4599489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).