1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one

C22H20FNO2S — CID 138623782

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one
SMILESCc1ccc(CCC2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)s1
InChIInChI=1S/C22H20FNO2S/c1-15-6-11-18(27-15)12-13-22(26)19-4-2-3-5-20(19)24(21(22)25)14-16-7-9-17(23)10-8-16/h2-11,26H,12-14H2,1H3
InChIKeyVWLFEESKIGYSTK-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.56
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one (PubChem CID 138623782) has the molecular formula C22H20FNO2S and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one
PubChem CID138623782
Molecular FormulaC22H20FNO2S
Molecular Weight381.47 g/mol
Exact Mass381.12
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one
SMILESCc1ccc(CCC2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)s1
InChIInChI=1S/C22H20FNO2S/c1-15-6-11-18(27-15)12-13-22(26)19-4-2-3-5-20(19)24(21(22)25)14-16-7-9-17(23)10-8-16/h2-11,26H,12-14H2,1H3
InChIKeyVWLFEESKIGYSTK-UHFFFAOYSA-N
XLogP4.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one (CID 138623782) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one is Cc1ccc(CCC2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)s1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one?
The InChIKey is VWLFEESKIGYSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO2S/c1-15-6-11-18(27-15)12-13-22(26)19-4-2-3-5-20(19)24(21(22)25)14-16-7-9-17(23)10-8-16/h2-11,26H,12-14H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one has a molecular weight of 381.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[2-(5-methylthiophen-2-yl)ethyl]indol-2-one is sourced from PubChem (CID 138623782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).