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

C25H32N2O3S — CID 3457866

IUPACN-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C25H32N2O3S/c1-2-30-16-7-14-26(25(29)20-10-6-11-20)18-23(28)27-15-12-22-21(13-17-31-22)24(27)19-8-4-3-5-9-19/h3-5,8-9,13,17,20,24H,2,6-7,10-12,14-16,18H2,1H3
InChIKeyHUPBCUFVAZOTPB-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.28
Rot. Bonds9

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

N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide (PubChem CID 3457866) has the molecular formula C25H32N2O3S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide
PubChem CID3457866
Molecular FormulaC25H32N2O3S
Molecular Weight440.61 g/mol
Exact Mass440.21
IUPAC NameN-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide
SMILESCCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C1CCC1
InChIInChI=1S/C25H32N2O3S/c1-2-30-16-7-14-26(25(29)20-10-6-11-20)18-23(28)27-15-12-22-21(13-17-31-22)24(27)19-8-4-3-5-9-19/h3-5,8-9,13,17,20,24H,2,6-7,10-12,14-16,18H2,1H3
InChIKeyHUPBCUFVAZOTPB-UHFFFAOYSA-N
XLogP4.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.28
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-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-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 4025284
N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopropanecarboxamide
CID 4040652
N-[2-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-ethoxypropyl)cyclopropanecarboxamide
CID 3427665
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-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]nonanamide
CID 3909966
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-phenylsulfanylacetamide
CID 42773724
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide (CID 3457866) is N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide is CCOCCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C1CCC1.
What is the InChIKey of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is HUPBCUFVAZOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3S/c1-2-30-16-7-14-26(25(29)20-10-6-11-20)18-23(28)27-15-12-22-21(13-17-31-22)24(27)19-8-4-3-5-9-19/h3-5,8-9,13,17,20,24H,2,6-7,10-12,14-16,18H2,1H3.
What are the key properties of N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide?
N-(3-ethoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 440.61 g/mol, XLogP of 4.28, 9 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-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 3457866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).