2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid

C20H16FNO2S — CID 145445834

IUPAC2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
SMILESCc1ccc2scc(-c3c(C)n(CC(=O)O)c4cc(F)ccc34)c2c1
InChIInChI=1S/C20H16FNO2S/c1-11-3-6-18-15(7-11)16(10-25-18)20-12(2)22(9-19(23)24)17-8-13(21)4-5-14(17)20/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyQZNOJLSKQCHJES-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.36
Rot. Bonds3

About 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid

2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid (PubChem CID 145445834) has the molecular formula C20H16FNO2S and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
PubChem CID145445834
Molecular FormulaC20H16FNO2S
Molecular Weight353.42 g/mol
Exact Mass353.09
IUPAC Name2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
SMILESCc1ccc2scc(-c3c(C)n(CC(=O)O)c4cc(F)ccc34)c2c1
InChIInChI=1S/C20H16FNO2S/c1-11-3-6-18-15(7-11)16(10-25-18)20-12(2)22(9-19(23)24)17-8-13(21)4-5-14(17)20/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyQZNOJLSKQCHJES-UHFFFAOYSA-N
XLogP5.36
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-chloro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
CID 145445897
2-[6-fluoro-2-methyl-3-[5-(trifluoromethyl)-1-benzothiophen-3-yl]indol-1-yl]acetaldehyde
CID 138662974
2-[6-chloro-2-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-3-yl]indol-1-yl]acetic acid
CID 138662597
5-chloro-1-ethyl-3-(5-fluoro-1-benzothiophen-3-yl)-2-methylindole
CID 138662832
1-ethyl-2,5-dimethyl-3-[6-(trifluoromethyl)-1-benzothiophen-3-yl]indole
CID 138662892
2-[6-chloro-3-(5-fluoro-1,1-dioxo-1-benzothiophen-3-yl)-2-methylindol-1-yl]acetic acid
CID 138662377
2-[6-chloro-3-(5-fluoro-1-oxo-1-benzothiophen-3-yl)-2-methylindol-1-yl]acetic acid
CID 163586931
2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
CID 10065219
2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 66652240
2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 10473681
2-[3-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylindol-1-yl]acetic acid
CID 54160910
2-(3-benzylsulfanyl-5-fluoro-2-methylindol-1-yl)acetic acid
CID 69457532

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid (CID 145445834) is 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid is Cc1ccc2scc(-c3c(C)n(CC(=O)O)c4cc(F)ccc34)c2c1.
What is the InChIKey of 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid?
The InChIKey is QZNOJLSKQCHJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2S/c1-11-3-6-18-15(7-11)16(10-25-18)20-12(2)22(9-19(23)24)17-8-13(21)4-5-14(17)20/h3-8,10H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid?
2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 145445834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).