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

C18H16FNO4S — CID 11631885

IUPAC2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(C)s3)c2cc1F
InChIInChI=1S/C18H16FNO4S/c1-9-4-5-16(25-9)18(23)20-10(2)11(7-17(21)22)12-6-15(24-3)13(19)8-14(12)20/h4-6,8H,7H2,1-3H3,(H,21,22)
InChIKeyLIPUXLMXEZIECW-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.78
Rot. Bonds4

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

2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid (PubChem CID 11631885) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid
PubChem CID11631885
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid
SMILESCOc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(C)s3)c2cc1F
InChIInChI=1S/C18H16FNO4S/c1-9-4-5-16(25-9)18(23)20-10(2)11(7-17(21)22)12-6-15(24-3)13(19)8-14(12)20/h4-6,8H,7H2,1-3H3,(H,21,22)
InChIKeyLIPUXLMXEZIECW-UHFFFAOYSA-N
XLogP3.78
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid (CID 11631885) is 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid is COc1cc2c(CC(=O)O)c(C)n(C(=O)c3ccc(C)s3)c2cc1F.
What is the InChIKey of 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid?
The InChIKey is LIPUXLMXEZIECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/c1-9-4-5-16(25-9)18(23)20-10(2)11(7-17(21)22)12-6-15(24-3)13(19)8-14(12)20/h4-6,8H,7H2,1-3H3,(H,21,22).
What are the key properties of 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid?
2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid has a molecular weight of 361.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-5-methoxy-2-methyl-1-(5-methylthiophene-2-carbonyl)indol-3-yl]acetic acid is sourced from PubChem (CID 11631885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).