N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide

C24H26N2O5S2 — CID 43955930

IUPACN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4C)ccc32)cc1
InChIInChI=1S/C24H26N2O5S2/c1-18-6-3-4-7-20(18)17-32(27,28)25-21-9-14-24-19(16-21)8-5-15-26(24)33(29,30)23-12-10-22(31-2)11-13-23/h3-4,6-7,9-14,16,25H,5,8,15,17H2,1-2H3
InChIKeyMPTCZGTXOJRQGG-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.09
Rot. Bonds7

About N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 43955930) has the molecular formula C24H26N2O5S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID43955930
Molecular FormulaC24H26N2O5S2
Molecular Weight486.62 g/mol
Exact Mass486.13
IUPAC NameN-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4C)ccc32)cc1
InChIInChI=1S/C24H26N2O5S2/c1-18-6-3-4-7-20(18)17-32(27,28)25-21-9-14-24-19(16-21)8-5-15-26(24)33(29,30)23-12-10-22(31-2)11-13-23/h3-4,6-7,9-14,16,25H,5,8,15,17H2,1-2H3
InChIKeyMPTCZGTXOJRQGG-UHFFFAOYSA-N
XLogP4.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanesulfonamide
CID 43990576
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-methoxyethanesulfonamide
CID 7498951
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(2-methylphenyl)methanesulfonamide
CID 43990643
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]urea
CID 30374549
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3,4-dimethylbenzamide
CID 27510027
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1-naphthalen-1-ylmethanesulfonamide
CID 43955982
2-(2-methoxyphenoxy)-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 27443582
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 27368896
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzamide
CID 27537420
2-(4-methoxyphenoxy)-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 18565018

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide (CID 43955930) is N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide is COc1ccc(S(=O)(=O)N2CCCc3cc(NS(=O)(=O)Cc4ccccc4C)ccc32)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is MPTCZGTXOJRQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S2/c1-18-6-3-4-7-20(18)17-32(27,28)25-21-9-14-24-19(16-21)8-5-15-26(24)33(29,30)23-12-10-22(31-2)11-13-23/h3-4,6-7,9-14,16,25H,5,8,15,17H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide?
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 486.62 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 43955930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).