N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide

C20H22N2O3S — CID 90599654

IUPACN-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide
SMILESCCC(CNS(=O)(=O)c1cccc2cccnc12)(OC)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-3-20(25-2,17-11-5-4-6-12-17)15-22-26(23,24)18-13-7-9-16-10-8-14-21-19(16)18/h4-14,22H,3,15H2,1-2H3
InChIKeyFMANGAMPAOFCTD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.46
Rot. Bonds7

About N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide

N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide (PubChem CID 90599654) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide
PubChem CID90599654
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide
SMILESCCC(CNS(=O)(=O)c1cccc2cccnc12)(OC)c1ccccc1
InChIInChI=1S/C20H22N2O3S/c1-3-20(25-2,17-11-5-4-6-12-17)15-22-26(23,24)18-13-7-9-16-10-8-14-21-19(16)18/h4-14,22H,3,15H2,1-2H3
InChIKeyFMANGAMPAOFCTD-UHFFFAOYSA-N
XLogP3.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butylquinoline-8-sulfonamide
CID 2068304
N-(2-phenoxyethyl)quinoline-8-sulfonamide
CID 3776946
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(2-methoxy-2-phenylbutyl)-4-propan-2-ylbenzenesulfonamide
CID 90599639
N-[4-(2-methoxyphenoxy)but-2-ynyl]quinoline-8-sulfonamide
CID 71802969
methyl 2-methyl-2-(quinolin-8-ylsulfonylamino)propanoate
CID 71246852
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
3-fluoro-4-methoxy-N-(2-methoxy-2-phenylbutyl)benzenesulfonamide
CID 71810764
N-[(3,4-diethoxyphenyl)methyl]quinoline-8-sulfonamide
CID 22206219
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide (CID 90599654) is N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide is CCC(CNS(=O)(=O)c1cccc2cccnc12)(OC)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide?
The InChIKey is FMANGAMPAOFCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-3-20(25-2,17-11-5-4-6-12-17)15-22-26(23,24)18-13-7-9-16-10-8-14-21-19(16)18/h4-14,22H,3,15H2,1-2H3.
What are the key properties of N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide?
N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide is sourced from PubChem (CID 90599654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).