3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one

C16H15NO3S — CID 3596901

IUPAC3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(C)s1)C(=O)N2
InChIInChI=1S/C16H15NO3S/c1-9-3-5-12-11(7-9)16(20,15(19)17-12)8-13(18)14-6-4-10(2)21-14/h3-7,20H,8H2,1-2H3,(H,17,19)
InChIKeyPRDHBOKIXJBFCI-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.78
Rot. Bonds3

About 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one

3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 3596901) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
PubChem CID3596901
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc2c(c1)C(O)(CC(=O)c1ccc(C)s1)C(=O)N2
InChIInChI=1S/C16H15NO3S/c1-9-3-5-12-11(7-9)16(20,15(19)17-12)8-13(18)14-6-4-10(2)21-14/h3-7,20H,8H2,1-2H3,(H,17,19)
InChIKeyPRDHBOKIXJBFCI-UHFFFAOYSA-N
XLogP2.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one (CID 3596901) is 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one is Cc1ccc2c(c1)C(O)(CC(=O)c1ccc(C)s1)C(=O)N2.
What is the InChIKey of 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is PRDHBOKIXJBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-9-3-5-12-11(7-9)16(20,15(19)17-12)8-13(18)14-6-4-10(2)21-14/h3-7,20H,8H2,1-2H3,(H,17,19).
What are the key properties of 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one?
3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 3596901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).