[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

C20H22N2O5S — CID 2998430

IUPAC[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H22N2O5S/c1-14-12-16-6-4-5-7-18(16)22(14)19(23)13-27-20(24)15-8-10-17(11-9-15)28(25,26)21(2)3/h4-11,14H,12-13H2,1-3H3
InChIKeyPOOYKPZSZBAIEJ-UHFFFAOYSA-N
MW402.47 g/mol
LogP2.07
Rot. Bonds5

About [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate

[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (PubChem CID 2998430) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
PubChem CID2998430
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
SMILESCC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H22N2O5S/c1-14-12-16-6-4-5-7-18(16)22(14)19(23)13-27-20(24)15-8-10-17(11-9-15)28(25,26)21(2)3/h4-11,14H,12-13H2,1-3H3
InChIKeyPOOYKPZSZBAIEJ-UHFFFAOYSA-N
XLogP2.07
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
Ethyl 4-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonamido)benzoate
CID 15990560
2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl benzoate
CID 1088631
2-Amino-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089231
[2-(Dimethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2083980
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 3-(methylsulfamoyl)benzoate
CID 2097336
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
2-{[4-(Aminosulfonyl)phenyl]amino}-2-oxoethyl 2-(propionylamino)benzoate
CID 2190341
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2332648
[2-(2,3-Dimethylanilino)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 2338163
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(phenylsulfamoyl)benzoate
CID 2372648

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate (CID 2998430) is [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
The InChIKey is POOYKPZSZBAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-14-12-16-6-4-5-7-18(16)22(14)19(23)13-27-20(24)15-8-10-17(11-9-15)28(25,26)21(2)3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate?
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate has a molecular weight of 402.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2998430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).