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

C24H25NO3S — CID 18093682

IUPAC3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCc3sccc3C2c2ccccc2)c1OC
InChIInChI=1S/C24H25NO3S/c1-27-20-10-6-9-18(24(20)28-2)11-12-22(26)25-15-13-21-19(14-16-29-21)23(25)17-7-4-3-5-8-17/h3-10,14,16,23H,11-13,15H2,1-2H3
InChIKeyDXHIQRAWZLJMEK-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.87
Rot. Bonds6

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

3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 18093682) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID18093682
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC Name3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCc3sccc3C2c2ccccc2)c1OC
InChIInChI=1S/C24H25NO3S/c1-27-20-10-6-9-18(24(20)28-2)11-12-22(26)25-15-13-21-19(14-16-29-21)23(25)17-7-4-3-5-8-17/h3-10,14,16,23H,11-13,15H2,1-2H3
InChIKeyDXHIQRAWZLJMEK-UHFFFAOYSA-N
XLogP4.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 3889285
1-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-phenylethanone
CID 3498352
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 33166466
4-oxo-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butanal
CID 87516306
3-cyclopropyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 157330054
2-(4-methoxyphenoxy)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451540
2-(4-methoxyphenoxy)-1-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9451539
3-cyclopentyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 18093663
3-(2-methoxyphenyl)-1-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-propan-2-ylurea
CID 3347520
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylsulfanylethanone
CID 55429579
2-(2-methoxyethylamino)-1-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 7495269

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 18093682) is 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is COc1cccc(CCC(=O)N2CCc3sccc3C2c2ccccc2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is DXHIQRAWZLJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-27-20-10-6-9-18(24(20)28-2)11-12-22(26)25-15-13-21-19(14-16-29-21)23(25)17-7-4-3-5-8-17/h3-10,14,16,23H,11-13,15H2,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 407.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 18093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).