N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide

C22H28N2O4S — CID 118076369

IUPACN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
SMILESCCCOc1c(-c2ccc(NS(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C22H28N2O4S/c1-5-14-28-22-19(17-7-9-18(10-8-17)23-29(4,26)27)12-13-21-20(22)11-6-15(2)24(21)16(3)25/h7-10,12-13,15,23H,5-6,11,14H2,1-4H3/t15-/m0/s1
InChIKeyWPVYXQLBZXWELU-HNNXBMFYSA-N
MW416.54 g/mol
LogP4.20
Rot. Bonds6

About N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide

N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide (PubChem CID 118076369) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
PubChem CID118076369
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide
SMILESCCCOc1c(-c2ccc(NS(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C22H28N2O4S/c1-5-14-28-22-19(17-7-9-18(10-8-17)23-29(4,26)27)12-13-21-20(22)11-6-15(2)24(21)16(3)25/h7-10,12-13,15,23H,5-6,11,14H2,1-4H3/t15-/m0/s1
InChIKeyWPVYXQLBZXWELU-HNNXBMFYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

1-[(2S)-2-methyl-6-[4-(methylsulfonylmethyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 153271502
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]-N-methylmethanesulfonamide
CID 118075564
1-[(2S)-6-[1-(1-tert-butylpiperidin-4-yl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 150763451
2-[[1-acetyl-6-[4-(methanesulfinamido)phenyl]-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylacetamide
CID 123635348
1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086281
1-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)piperidin-1-yl]ethanone
CID 118306000
4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylic acid
CID 118076382
4-[4-(1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]-3-tert-butylpiperidine-1-carboxylic acid
CID 118305996
1-[(2S)-2-methyl-6-[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]-3,6-dihydro-2H-pyridin-4-yl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118086296
1-[(2S)-5-methoxy-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144846260
1-[6-(1-cyclopropylpyrazol-4-yl)-2-methyl-5-(2-methylpropoxy)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123614252
[6-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]-cyclopropylmethanone
CID 118076159

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide (CID 118076369) is N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide is CCCOc1c(-c2ccc(NS(C)(=O)=O)cc2)ccc2c1CC[C@H](C)N2C(C)=O.
What is the InChIKey of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide?
The InChIKey is WPVYXQLBZXWELU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-5-14-28-22-19(17-7-9-18(10-8-17)23-29(4,26)27)12-13-21-20(22)11-6-15(2)24(21)16(3)25/h7-10,12-13,15,23H,5-6,11,14H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide?
N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide has a molecular weight of 416.54 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-1-acetyl-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 118076369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).