5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one

C15H16N2O2S — CID 81126553

IUPAC5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCOc1csc(C(N)c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C15H16N2O2S/c1-17-12-4-3-9(5-10(12)6-14(17)18)15(16)13-7-11(19-2)8-20-13/h3-5,7-8,15H,6,16H2,1-2H3
InChIKeyOSHIVEIMXLGBLG-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.32
Rot. Bonds3

About 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one

5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 81126553) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID81126553
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCOc1csc(C(N)c2ccc3c(c2)CC(=O)N3C)c1
InChIInChI=1S/C15H16N2O2S/c1-17-12-4-3-9(5-10(12)6-14(17)18)15(16)13-7-11(19-2)8-20-13/h3-5,7-8,15H,6,16H2,1-2H3
InChIKeyOSHIVEIMXLGBLG-UHFFFAOYSA-N
XLogP2.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one (CID 81126553) is 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one is COc1csc(C(N)c2ccc3c(c2)CC(=O)N3C)c1.
What is the InChIKey of 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is OSHIVEIMXLGBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-17-12-4-3-9(5-10(12)6-14(17)18)15(16)13-7-11(19-2)8-20-13/h3-5,7-8,15H,6,16H2,1-2H3.
What are the key properties of 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one?
5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 288.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81126553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).