N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide

C18H22N2O4S — CID 113138523

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccco1
InChIInChI=1S/C18H22N2O4S/c1-25(22,23)19(14-16-8-5-13-24-16)12-10-18(21)20-11-4-7-15-6-2-3-9-17(15)20/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3
InChIKeyRBGZGJQVNDSDPN-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.41
Rot. Bonds6

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 113138523) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID113138523
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccco1
InChIInChI=1S/C18H22N2O4S/c1-25(22,23)19(14-16-8-5-13-24-16)12-10-18(21)20-11-4-7-15-6-2-3-9-17(15)20/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3
InChIKeyRBGZGJQVNDSDPN-UHFFFAOYSA-N
XLogP2.41
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 113139243
N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113138450
2-[benzyl(furan-2-ylmethyl)amino]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 18088269
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 113139023
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]methanesulfonamide
CID 113139349
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 113149853
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2-phenylethyl)methanesulfonamide
CID 113140199
N-(2-chlorophenyl)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143717
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-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140362
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide (CID 113138523) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCc2ccccc21)Cc1ccco1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is RBGZGJQVNDSDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-25(22,23)19(14-16-8-5-13-24-16)12-10-18(21)20-11-4-7-15-6-2-3-9-17(15)20/h2-3,5-6,8-9,13H,4,7,10-12,14H2,1H3.
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 362.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 113138523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).