N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide

C22H28N2O4S — CID 27702630

IUPACN-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H28N2O4S/c1-4-5-14-23(2)22(25)18-12-13-20(28-3)21(16-18)29(26,27)24-15-8-10-17-9-6-7-11-19(17)24/h6-7,9,11-13,16H,4-5,8,10,14-15H2,1-3H3
InChIKeyVAGLLFSLGODPSC-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.71
Rot. Bonds7

About N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide

N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide (PubChem CID 27702630) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
PubChem CID27702630
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C22H28N2O4S/c1-4-5-14-23(2)22(25)18-12-13-20(28-3)21(16-18)29(26,27)24-15-8-10-17-9-6-7-11-19(17)24/h6-7,9,11-13,16H,4-5,8,10,14-15H2,1-3H3
InChIKeyVAGLLFSLGODPSC-UHFFFAOYSA-N
XLogP3.71
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N-(2-aminoethyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 119383156
phenyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 4527658
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 3997114
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241457
[(2R)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 2596134
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2576633
N-butyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55547953
naphthalen-1-ylmethyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzoate
CID 2540593
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 43046318

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide (CID 27702630) is N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide?
The InChIKey is VAGLLFSLGODPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-4-5-14-23(2)22(25)18-12-13-20(28-3)21(16-18)29(26,27)24-15-8-10-17-9-6-7-11-19(17)24/h6-7,9,11-13,16H,4-5,8,10,14-15H2,1-3H3.
What are the key properties of N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide?
N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 27702630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).