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

C16H18N2OS — CID 43254818

IUPAC3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
SMILESCCc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)s1
InChIInChI=1S/C16H18N2OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(2)8-13(14)15(17)16(18)19/h4-8,15H,3,9,17H2,1-2H3
InChIKeyXMMVNLQSLVRRNT-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.17
Rot. Bonds3

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

3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one (PubChem CID 43254818) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
PubChem CID43254818
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one
SMILESCCc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)s1
InChIInChI=1S/C16H18N2OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(2)8-13(14)15(17)16(18)19/h4-8,15H,3,9,17H2,1-2H3
InChIKeyXMMVNLQSLVRRNT-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one (CID 43254818) is 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one is CCc1ccc(CN2C(=O)C(N)c3cc(C)ccc32)s1.
What is the InChIKey of 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one?
The InChIKey is XMMVNLQSLVRRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-3-11-5-6-12(20-11)9-18-14-7-4-10(2)8-13(14)15(17)16(18)19/h4-8,15H,3,9,17H2,1-2H3.
What are the key properties of 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one?
3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one has a molecular weight of 286.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(5-ethylthiophen-2-yl)methyl]-5-methyl-3H-indol-2-one is sourced from PubChem (CID 43254818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).