N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide

C16H24N2O3S — CID 113153451

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
SMILESCCCCCN(CC(=O)N1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-3-4-7-11-17(22(2,20)21)13-16(19)18-12-10-14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyVCPWTPVNMMAVFT-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide (PubChem CID 113153451) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
PubChem CID113153451
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide
SMILESCCCCCN(CC(=O)N1CCc2ccccc21)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-3-4-7-11-17(22(2,20)21)13-16(19)18-12-10-14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyVCPWTPVNMMAVFT-UHFFFAOYSA-N
XLogP2.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-butyl-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2441689
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
2-[3-aminopropyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)ethanone
CID 81493095
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-pentylazanium
CID 2443776
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]methanesulfonamide
CID 113140860
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
CID 129006836

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide (CID 113153451) is N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide is CCCCCN(CC(=O)N1CCc2ccccc21)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide?
The InChIKey is VCPWTPVNMMAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-4-7-11-17(22(2,20)21)13-16(19)18-12-10-14-8-5-6-9-15(14)18/h5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide?
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-pentylmethanesulfonamide is sourced from PubChem (CID 113153451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).