N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

C28H32N2O4S — CID 3420426

IUPACN-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C28H32N2O4S/c1-3-34-17-8-15-29(28(32)22-11-7-12-23(19-22)33-2)20-26(31)30-16-13-25-24(14-18-35-25)27(30)21-9-5-4-6-10-21/h4-7,9-12,14,18-19,27H,3,8,13,15-17,20H2,1-2H3
InChIKeyTUEUXWLBWPWUBU-UHFFFAOYSA-N
MW492.64 g/mol
LogP4.80
Rot. Bonds10

About N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (PubChem CID 3420426) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
PubChem CID3420426
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC NameN-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C28H32N2O4S/c1-3-34-17-8-15-29(28(32)22-11-7-12-23(19-22)33-2)20-26(31)30-16-13-25-24(14-18-35-25)27(30)21-9-5-4-6-10-21/h4-7,9-12,14,18-19,27H,3,8,13,15-17,20H2,1-2H3
InChIKeyTUEUXWLBWPWUBU-UHFFFAOYSA-N
XLogP4.80
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.64
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 4985803
N-[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 92950212
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 3641835
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-(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]thiophene-2-carboxamide
CID 3606384
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 3489334
2-chloro-N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 42773723
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)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide
CID 3457866

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide (CID 3420426) is N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?
The InChIKey is TUEUXWLBWPWUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-3-34-17-8-15-29(28(32)22-11-7-12-23(19-22)33-2)20-26(31)30-16-13-25-24(14-18-35-25)27(30)21-9-5-4-6-10-21/h4-7,9-12,14,18-19,27H,3,8,13,15-17,20H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide?
N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide has a molecular weight of 492.64 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-methoxy-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide is sourced from PubChem (CID 3420426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).