N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

C20H23FN2O3S — CID 113140362

IUPACN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCc2ccccc21)CCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-27(25,26)22(13-10-16-6-8-18(21)9-7-16)14-12-20(24)23-15-11-17-4-2-3-5-19(17)23/h2-9H,10-15H2,1H3
InChIKeyLINLNFZAHQBFQB-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.61
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 113140362) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID113140362
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCc2ccccc21)CCc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-27(25,26)22(13-10-16-6-8-18(21)9-7-16)14-12-20(24)23-15-11-17-4-2-3-5-19(17)23/h2-9H,10-15H2,1H3
InChIKeyLINLNFZAHQBFQB-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-(2,4-difluorophenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146382
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139328
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164391
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
CID 113153451
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-(4-acetylphenyl)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113145428
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140354

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (CID 113140362) is N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCc2ccccc21)CCc1ccc(F)cc1.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is LINLNFZAHQBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-27(25,26)22(13-10-16-6-8-18(21)9-7-16)14-12-20(24)23-15-11-17-4-2-3-5-19(17)23/h2-9H,10-15H2,1H3.
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 113140362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).