3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

C23H19NO2S — CID 118708375

IUPAC3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO2S/c1-26-18-12-9-16(10-13-18)11-14-20(25)22-21(17-6-3-2-4-7-17)19-8-5-15-24-23(19)27-22/h2-10,12-13,15H,11,14H2,1H3
InChIKeyJRROZBAWFHTTRO-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.79
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one

3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (PubChem CID 118708375) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
PubChem CID118708375
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO2S/c1-26-18-12-9-16(10-13-18)11-14-20(25)22-21(17-6-3-2-4-7-17)19-8-5-15-24-23(19)27-22/h2-10,12-13,15H,11,14H2,1H3
InChIKeyJRROZBAWFHTTRO-UHFFFAOYSA-N
XLogP5.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one (CID 118708375) is 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
The InChIKey is JRROZBAWFHTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-26-18-12-9-16(10-13-18)11-14-20(25)22-21(17-6-3-2-4-7-17)19-8-5-15-24-23(19)27-22/h2-10,12-13,15H,11,14H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one has a molecular weight of 373.48 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(3-phenylthieno[2,3-b]pyridin-2-yl)propan-1-one is sourced from PubChem (CID 118708375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).