N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C27H28N2O5S — CID 1168902

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28N2O5S/c1-18-13-19(2)26-21(14-18)15-22(27(30)28-26)17-29(16-20-5-7-23(33-3)8-6-20)35(31,32)25-11-9-24(34-4)10-12-25/h5-15H,16-17H2,1-4H3,(H,28,30)
InChIKeyCVWNWLIFCZOMBD-UHFFFAOYSA-N
MW492.60 g/mol
LogP4.55
Rot. Bonds8

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 1168902) has the molecular formula C27H28N2O5S and a molecular weight of 492.60 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID1168902
Molecular FormulaC27H28N2O5S
Molecular Weight492.60 g/mol
Exact Mass492.17
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H28N2O5S/c1-18-13-19(2)26-21(14-18)15-22(27(30)28-26)17-29(16-20-5-7-23(33-3)8-6-20)35(31,32)25-11-9-24(34-4)10-12-25/h5-15H,16-17H2,1-4H3,(H,28,30)
InChIKeyCVWNWLIFCZOMBD-UHFFFAOYSA-N
XLogP4.55
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 1168913
N-[(4-methoxyphenyl)methyl]-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1161532
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 1453837
N-[(4-fluorophenyl)methyl]-4-methoxy-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
CID 3184316
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
3-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141128
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 1162060
4-acetyl-N-[(4-methoxyphenyl)methyl]-N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]benzenesulfonamide
CID 3184252
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164040
N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 1164979

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 1168902) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)S(=O)(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is CVWNWLIFCZOMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5S/c1-18-13-19(2)26-21(14-18)15-22(27(30)28-26)17-29(16-20-5-7-23(33-3)8-6-20)35(31,32)25-11-9-24(34-4)10-12-25/h5-15H,16-17H2,1-4H3,(H,28,30).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 492.60 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 1168902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).