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

C23H30N2O3S — CID 7361399

IUPACN-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C23H30N2O3S/c1-4-28-14-5-12-24(18(3)26)16-22(27)25-13-10-21-20(11-15-29-21)23(25)19-8-6-17(2)7-9-19/h6-9,11,15,23H,4-5,10,12-14,16H2,1-3H3/t23-/m0/s1
InChIKeyOFQKVGZHLRUKRK-QHCPKHFHSA-N
MW414.57 g/mol
LogP3.81
Rot. Bonds8

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

N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide (PubChem CID 7361399) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
PubChem CID7361399
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(C)=O
InChIInChI=1S/C23H30N2O3S/c1-4-28-14-5-12-24(18(3)26)16-22(27)25-13-10-21-20(11-15-29-21)23(25)19-8-6-17(2)7-9-19/h6-9,11,15,23H,4-5,10,12-14,16H2,1-3H3/t23-/m0/s1
InChIKeyOFQKVGZHLRUKRK-QHCPKHFHSA-N
XLogP3.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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)-2,2-dimethyl-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]propanamide
CID 3649114
N-(3-ethoxypropyl)-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-2-carboxamide
CID 4544000
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 3975300
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
CID 3427665
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-(3-ethoxypropyl)-N-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]butanamide
CID 7412345
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3463174
1-(3-ethoxypropyl)-3,3-dimethyl-1-[2-oxo-2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]urea
CID 7301458
N-(3-ethoxypropyl)-2-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 4258778
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide
CID 3457866
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of 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) is N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is CCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(C)=O.
What is the InChIKey of N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
The InChIKey is OFQKVGZHLRUKRK-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-28-14-5-12-24(18(3)26)16-22(27)25-13-10-21-20(11-15-29-21)23(25)19-8-6-17(2)7-9-19/h6-9,11,15,23H,4-5,10,12-14,16H2,1-3H3/t23-/m0/s1.
What are the key properties of N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide?
N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide has a molecular weight of 414.57 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-N-[2-[(4S)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 7361399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).