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

C32H32N2O3S — CID 5253093

IUPACN-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O3S/c1-37-21-20-33(32(36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25)23-29(35)34-19-17-28-27(18-22-38-28)31(34)26-15-9-4-10-16-26/h2-16,18,22,30-31H,17,19-21,23H2,1H3
InChIKeyMXDBUZXHQQVRED-UHFFFAOYSA-N
MW524.69 g/mol
LogP5.53
Rot. Bonds9

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

N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide (PubChem CID 5253093) has the molecular formula C32H32N2O3S and a molecular weight of 524.69 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide
PubChem CID5253093
Molecular FormulaC32H32N2O3S
Molecular Weight524.69 g/mol
Exact Mass524.21
IUPAC NameN-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide
SMILESCOCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H32N2O3S/c1-37-21-20-33(32(36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25)23-29(35)34-19-17-28-27(18-22-38-28)31(34)26-15-9-4-10-16-26/h2-16,18,22,30-31H,17,19-21,23H2,1H3
InChIKeyMXDBUZXHQQVRED-UHFFFAOYSA-N
XLogP5.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-chloro-N-(2-methoxyethyl)-N-[2-oxo-2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]propanamide
CID 7216722
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
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)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]pentanamide
CID 3665663
4-fluoro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 3665666
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
N-(3-methoxypropyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclopropanecarboxamide
CID 4040652
1-(3-methoxypropyl)-3,3-dimethyl-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
CID 5215768
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-[4-(4-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4545052
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
2,4-dichloro-N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide
CID 3665669

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide (CID 5253093) is N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide is COCCN(CC(=O)N1CCc2sccc2C1c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide?
The InChIKey is MXDBUZXHQQVRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3S/c1-37-21-20-33(32(36)30(24-11-5-2-6-12-24)25-13-7-3-8-14-25)23-29(35)34-19-17-28-27(18-22-38-28)31(34)26-15-9-4-10-16-26/h2-16,18,22,30-31H,17,19-21,23H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide?
N-(2-methoxyethyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide has a molecular weight of 524.69 g/mol, XLogP of 5.53, 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-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 5253093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).