2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide

C20H23ClN2O3S — CID 55873198

IUPAC2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-20(2,16-7-9-17(21)10-8-16)19(24)22-12-14-27(25,26)23-13-11-15-5-3-4-6-18(15)23/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyXPMWTIZKTCLHEY-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide

2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide (PubChem CID 55873198) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
PubChem CID55873198
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-20(2,16-7-9-17(21)10-8-16)19(24)22-12-14-27(25,26)23-13-11-15-5-3-4-6-18(15)23/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeyXPMWTIZKTCLHEY-UHFFFAOYSA-N
XLogP3.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)propanamide
CID 110343101
1-(2,6-diethylphenyl)-3-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]urea
CID 55696623
5-chloro-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-1H-indole-2-carboxamide
CID 51114529
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]octanamide
CID 55662696
(2S)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 97184970
(2S)-2-(benzimidazol-1-yl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]propanamide
CID 39315966
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111609431
2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-methylpropanamide
CID 20934116
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946559
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methyl-3-pentylguanidine
CID 111129065
N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-pyrrol-1-ylbenzamide
CID 55662732
1-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111226329

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide (CID 55873198) is 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide is CC(C)(C(=O)NCCS(=O)(=O)N1CCc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide?
The InChIKey is XPMWTIZKTCLHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-20(2,16-7-9-17(21)10-8-16)19(24)22-12-14-27(25,26)23-13-11-15-5-3-4-6-18(15)23/h3-10H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide?
2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide has a molecular weight of 406.94 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 55873198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).