3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide

C20H19NO2S — CID 134229810

IUPAC3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
SMILESCc1cscc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C20H19NO2S/c1-13-11-24-12-19(13)16-5-7-18(14-3-2-4-17(22)10-14)15(9-16)6-8-20(21)23/h2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23)
InChIKeyYEQWBXRSTKCHTQ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.51
Rot. Bonds5

About 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide

3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide (PubChem CID 134229810) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
PubChem CID134229810
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
SMILESCc1cscc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C20H19NO2S/c1-13-11-24-12-19(13)16-5-7-18(14-3-2-4-17(22)10-14)15(9-16)6-8-20(21)23/h2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23)
InChIKeyYEQWBXRSTKCHTQ-UHFFFAOYSA-N
XLogP4.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide?
The IUPAC name of 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide (CID 134229810) is 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide is Cc1cscc1-c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide?
The InChIKey is YEQWBXRSTKCHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-13-11-24-12-19(13)16-5-7-18(14-3-2-4-17(22)10-14)15(9-16)6-8-20(21)23/h2-5,7,9-12,22H,6,8H2,1H3,(H2,21,23).
What are the key properties of 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide?
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide has a molecular weight of 337.44 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide is sourced from PubChem (CID 134229810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).