2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid

C14H18N2O6S — CID 146134632

IUPAC2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)COCC(=O)O)CC2
InChIInChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-4-3-10-5-6-16(12(10)7-11)13(17)8-22-9-14(18)19/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyJOENJAUCUPSZKI-UHFFFAOYSA-N
MW342.37 g/mol
LogP-0.02
Rot. Bonds7

About 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid

2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 146134632) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
PubChem CID146134632
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid
SMILESCCNS(=O)(=O)c1ccc2c(c1)N(C(=O)COCC(=O)O)CC2
InChIInChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-4-3-10-5-6-16(12(10)7-11)13(17)8-22-9-14(18)19/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,18,19)
InChIKeyJOENJAUCUPSZKI-UHFFFAOYSA-N
XLogP-0.02
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 119802333
3-(2,3-dihydroindole-1-carbonyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 19257849
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-[2,2-difluoro-2-(3-methyl-2-pyridinyl)acetyl]-N-ethyl-2,3-dihydroindole-6-sulfonamide
CID 154754983
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
CID 2499682
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
4-[5-(2-ethylhexylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 3243399
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid (CID 146134632) is 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid is CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)COCC(=O)O)CC2.
What is the InChIKey of 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid?
The InChIKey is JOENJAUCUPSZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-2-15-23(20,21)11-4-3-10-5-6-16(12(10)7-11)13(17)8-22-9-14(18)19/h3-4,7,15H,2,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid?
2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 342.37 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(ethylsulfamoyl)-2,3-dihydroindol-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 146134632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).