1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one

C23H23NO2S — CID 3889285

IUPAC1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-26-19-10-8-18(9-11-19)23-20-14-16-27-21(20)13-15-24(23)22(25)12-7-17-5-3-2-4-6-17/h2-6,8-11,14,16,23H,7,12-13,15H2,1H3
InChIKeyHUKGRHVMYPLESN-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.86
Rot. Bonds5

About 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one

1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one (PubChem CID 3889285) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
PubChem CID3889285
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
SMILESCOc1ccc(C2c3ccsc3CCN2C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C23H23NO2S/c1-26-19-10-8-18(9-11-19)23-20-14-16-27-21(20)13-15-24(23)22(25)12-7-17-5-3-2-4-6-17/h2-6,8-11,14,16,23H,7,12-13,15H2,1H3
InChIKeyHUKGRHVMYPLESN-UHFFFAOYSA-N
XLogP4.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]hexan-1-one
CID 7265535
1-[(4S)-4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 6925905
1-[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 7237818
2-(tert-butylamino)-1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 4222304
(4-methoxyphenyl)-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 5253149
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
3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093682
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenylmethoxy-N-propan-2-ylacetamide
CID 4533020
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-4-[4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butane-1,4-dione
CID 67357854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one (CID 3889285) is 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one is COc1ccc(C2c3ccsc3CCN2C(=O)CCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one?
The InChIKey is HUKGRHVMYPLESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-26-19-10-8-18(9-11-19)23-20-14-16-27-21(20)13-15-24(23)22(25)12-7-17-5-3-2-4-6-17/h2-6,8-11,14,16,23H,7,12-13,15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one?
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one has a molecular weight of 377.51 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 3889285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).