5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H21NO2S — CID 56795699

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(C2=CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C20H21NO2S/c1-23-17-7-5-14(6-8-17)15-9-11-21(12-10-15)20(22)19-13-16-3-2-4-18(16)24-19/h5-9,13H,2-4,10-12H2,1H3
InChIKeyBKRQCWOYKHDZJV-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.17
Rot. Bonds3

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 56795699) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID56795699
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1ccc(C2=CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1
InChIInChI=1S/C20H21NO2S/c1-23-17-7-5-14(6-8-17)15-9-11-21(12-10-15)20(22)19-13-16-3-2-4-18(16)24-19/h5-9,13H,2-4,10-12H2,1H3
InChIKeyBKRQCWOYKHDZJV-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 4827191
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
2-(4-methoxyphenyl)-2-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]acetonitrile
CID 78823954
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 2315040
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 63528902
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706890
methyl (3S)-1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919441
[4-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 37439394
(2S)-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 94029523
N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187917
[4-(2-methoxyphenyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 7494639

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 56795699) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1ccc(C2=CCN(C(=O)c3cc4c(s3)CCC4)CC2)cc1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is BKRQCWOYKHDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-23-17-7-5-14(6-8-17)15-9-11-21(12-10-15)20(22)19-13-16-3-2-4-18(16)24-19/h5-9,13H,2-4,10-12H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 339.46 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 56795699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).