1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid

C19H20N2O5S — CID 120691679

IUPAC1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-2-20-27(25,26)14-9-7-13(8-10-14)11-18(22)21-12-16(19(23)24)15-5-3-4-6-17(15)21/h3-10,16,20H,2,11-12H2,1H3,(H,23,24)
InChIKeyGDVUETAXBGFYJK-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.74
Rot. Bonds6

About 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid

1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691679) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691679
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid
SMILESCCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C19H20N2O5S/c1-2-20-27(25,26)14-9-7-13(8-10-14)11-18(22)21-12-16(19(23)24)15-5-3-4-6-17(15)21/h3-10,16,20H,2,11-12H2,1H3,(H,23,24)
InChIKeyGDVUETAXBGFYJK-UHFFFAOYSA-N
XLogP1.74
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
(6R)-4-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536013
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
1-[4-(4-ethylphenyl)-4-oxobutanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691460
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 136549512
1-[(Z)-2-methylpent-2-enoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565007
1-(pentylcarbamoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80566149
1-[cyclopropyl(ethyl)carbamoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565487
1-[2-(aminomethyl)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80564963

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid (CID 120691679) is 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid is CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is GDVUETAXBGFYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-2-20-27(25,26)14-9-7-13(8-10-14)11-18(22)21-12-16(19(23)24)15-5-3-4-6-17(15)21/h3-10,16,20H,2,11-12H2,1H3,(H,23,24).
What are the key properties of 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid?
1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 388.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylsulfamoyl)phenyl]acetyl]-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).