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

C22H28N2O3S — CID 7265309

IUPACN-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-20(25)23(12-13-27-3)15-21(26)24-11-9-19-18(10-14-28-19)22(24)17-7-5-16(2)6-8-17/h5-8,10,14,22H,4,9,11-13,15H2,1-3H3/t22-/m1/s1
InChIKeySHWFWQVBNJKSOJ-JOCHJYFZSA-N
MW400.54 g/mol
LogP3.42
Rot. Bonds7

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

N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide (PubChem CID 7265309) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
PubChem CID7265309
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
SMILESCCC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-20(25)23(12-13-27-3)15-21(26)24-11-9-19-18(10-14-28-19)22(24)17-7-5-16(2)6-8-17/h5-8,10,14,22H,4,9,11-13,15H2,1-3H3/t22-/m1/s1
InChIKeySHWFWQVBNJKSOJ-JOCHJYFZSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]heptanamide
CID 4210819
N-butyl-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 7350054
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
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-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-[(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-prop-2-enylpropanamide
CID 4025948
N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylpentanamide
CID 5240753
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-(3-ethoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 4025284
N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 7361399

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The IUPAC name of 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) is N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is CCC(=O)N(CCOC)CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
The InChIKey is SHWFWQVBNJKSOJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-20(25)23(12-13-27-3)15-21(26)24-11-9-19-18(10-14-28-19)22(24)17-7-5-16(2)6-8-17/h5-8,10,14,22H,4,9,11-13,15H2,1-3H3/t22-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide?
N-(2-methoxyethyl)-N-[2-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide has a molecular weight of 400.54 g/mol, XLogP of 3.42, 7 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-[(4R)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide is sourced from PubChem (CID 7265309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).