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

C27H28N2O3S — CID 3564873

IUPACN-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H28N2O3S/c1-32-22-11-7-19(8-12-22)17-25(30)29(21-9-10-21)18-26(31)28-15-13-24-23(14-16-33-24)27(28)20-5-3-2-4-6-20/h2-8,11-12,14,16,21,27H,9-10,13,15,17-18H2,1H3
InChIKeyHLLQSHOEXLHKSH-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.46
Rot. Bonds7

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

N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide (PubChem CID 3564873) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
PubChem CID3564873
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC NameN-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2)C2CC2)cc1
InChIInChI=1S/C27H28N2O3S/c1-32-22-11-7-19(8-12-22)17-25(30)29(21-9-10-21)18-26(31)28-15-13-24-23(14-16-33-24)27(28)20-5-3-2-4-6-20/h2-8,11-12,14,16,21,27H,9-10,13,15,17-18H2,1H3
InChIKeyHLLQSHOEXLHKSH-UHFFFAOYSA-N
XLogP4.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-phenylethanone
CID 3498352
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 3981123
N-cyclopropyl-N-[2-[(4R)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 7297040
N-cyclopropyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]butanamide
CID 3918492
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]dodecanamide
CID 3624994
N-cyclopropyl-4-methoxy-N-[2-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 4573840
N-cyclopropyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methylbenzamide
CID 5003364
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 3889285
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
N-cyclopropyl-N-[2-oxo-2-[4-(phenoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]-2-phenylacetamide
CID 46011303
N-cyclopropyl-4-hexyl-N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]benzamide
CID 3978580

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide (CID 3564873) is N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide is COc1ccc(CC(=O)N(CC(=O)N2CCc3sccc3C2c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide?
The InChIKey is HLLQSHOEXLHKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-32-22-11-7-19(8-12-22)17-25(30)29(21-9-10-21)18-26(31)28-15-13-24-23(14-16-33-24)27(28)20-5-3-2-4-6-20/h2-8,11-12,14,16,21,27H,9-10,13,15,17-18H2,1H3.
What are the key properties of N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide?
N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide has a molecular weight of 460.60 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide is sourced from PubChem (CID 3564873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).