5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid

C16H20N2O6S — CID 158088681

IUPAC5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
SMILESCOCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1
InChIInChI=1S/C16H20N2O6S/c1-24-8-9-25(22,23)17-13-3-2-12-6-7-18(15(12)10-13)11-14(19)4-5-16(20)21/h2-3,6-7,10,17H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeySLOVPGKNVBWZQH-UHFFFAOYSA-N
MW368.41 g/mol
LogP1.46
Rot. Bonds10

About 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid

5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid (PubChem CID 158088681) has the molecular formula C16H20N2O6S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
PubChem CID158088681
Molecular FormulaC16H20N2O6S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC Name5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
SMILESCOCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1
InChIInChI=1S/C16H20N2O6S/c1-24-8-9-25(22,23)17-13-3-2-12-6-7-18(15(12)10-13)11-14(19)4-5-16(20)21/h2-3,6-7,10,17H,4-5,8-9,11H2,1H3,(H,20,21)
InChIKeySLOVPGKNVBWZQH-UHFFFAOYSA-N
XLogP1.46
TPSA114.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The IUPAC name of 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid (CID 158088681) is 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid.
What is the SMILES notation for 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The canonical SMILES for 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid is COCCS(=O)(=O)Nc1ccc2ccn(CC(=O)CCC(=O)O)c2c1.
What is the InChIKey of 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
The InChIKey is SLOVPGKNVBWZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S/c1-24-8-9-25(22,23)17-13-3-2-12-6-7-18(15(12)10-13)11-14(19)4-5-16(20)21/h2-3,6-7,10,17H,4-5,8-9,11H2,1H3,(H,20,21).
What are the key properties of 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid?
5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid has a molecular weight of 368.41 g/mol, XLogP of 1.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid is sourced from PubChem (CID 158088681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).