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

C20H23FN2O3S — CID 113139278

IUPACN-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H23FN2O3S/c1-15-13-16-7-4-6-10-19(16)23(15)20(24)11-12-22(27(2,25)26)14-17-8-3-5-9-18(17)21/h3-10,15H,11-14H2,1-2H3
InChIKeyUXDXYKNMPPRALQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.96
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (PubChem CID 113139278) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
PubChem CID113139278
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC NameN-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)CCN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H23FN2O3S/c1-15-13-16-7-4-6-10-19(16)23(15)20(24)11-12-22(27(2,25)26)14-17-8-3-5-9-18(17)21/h3-10,15H,11-14H2,1-2H3
InChIKeyUXDXYKNMPPRALQ-UHFFFAOYSA-N
XLogP2.96
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 113139993
4-chloro-N-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133179817
N-[2-(2-fluorophenyl)ethyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]acetamide
CID 113121038
N-(2-fluorophenyl)-N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]methanesulfonamide
CID 133162392
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243
N-[(2-fluorophenyl)methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113139188
3-(2-fluorophenoxy)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 134016689
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
N-(4-ethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142877
N-(3-methoxypropyl)-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]methanesulfonamide
CID 113149574
N-(2,3-dimethylphenyl)-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142657
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide (CID 113139278) is N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is CC1Cc2ccccc2N1C(=O)CCN(Cc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
The InChIKey is UXDXYKNMPPRALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-15-13-16-7-4-6-10-19(16)23(15)20(24)11-12-22(27(2,25)26)14-17-8-3-5-9-18(17)21/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide?
N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide is sourced from PubChem (CID 113139278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).