2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid

C17H15NO4S — CID 11151624

IUPAC2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccs1
InChIInChI=1S/C17H15NO4S/c1-10-12(9-16(19)20)13-8-11(22-2)5-6-14(13)18(10)17(21)15-4-3-7-23-15/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPCNRVKJFFQTKEC-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.34
Rot. Bonds4

About 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid

2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid (PubChem CID 11151624) has the molecular formula C17H15NO4S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid
PubChem CID11151624
Molecular FormulaC17H15NO4S
Molecular Weight329.38 g/mol
Exact Mass329.07
IUPAC Name2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid
SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccs1
InChIInChI=1S/C17H15NO4S/c1-10-12(9-16(19)20)13-8-11(22-2)5-6-14(13)18(10)17(21)15-4-3-7-23-15/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyPCNRVKJFFQTKEC-UHFFFAOYSA-N
XLogP3.34
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid (CID 11151624) is 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid is COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccs1.
What is the InChIKey of 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid?
The InChIKey is PCNRVKJFFQTKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4S/c1-10-12(9-16(19)20)13-8-11(22-2)5-6-14(13)18(10)17(21)15-4-3-7-23-15/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid?
2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid has a molecular weight of 329.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]acetic acid is sourced from PubChem (CID 11151624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).