2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide

C21H24N2O3S — CID 136574217

IUPAC2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H24N2O3S/c1-5-26-19-12-15(4)17(14(2)3)13-20(19)27(24,25)23-18-10-6-8-16-9-7-11-22-21(16)18/h6-14,23H,5H2,1-4H3
InChIKeyRULYYWIPWUJIRT-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.87
Rot. Bonds6

About 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide

2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide (PubChem CID 136574217) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
PubChem CID136574217
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12
InChIInChI=1S/C21H24N2O3S/c1-5-26-19-12-15(4)17(14(2)3)13-20(19)27(24,25)23-18-10-6-8-16-9-7-11-22-21(16)18/h6-14,23H,5H2,1-4H3
InChIKeyRULYYWIPWUJIRT-UHFFFAOYSA-N
XLogP4.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 76506701
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
2-chloro-4-methyl-N-quinolin-8-ylbenzenesulfonamide
CID 24629216
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
4-methyl-N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 171466493
4-ethoxy-2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 6473677
2-hydroxy-N-quinolin-8-ylbenzenesulfonamide
CID 1380884

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide (CID 136574217) is 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide?
The InChIKey is RULYYWIPWUJIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-5-26-19-12-15(4)17(14(2)3)13-20(19)27(24,25)23-18-10-6-8-16-9-7-11-22-21(16)18/h6-14,23H,5H2,1-4H3.
What are the key properties of 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide?
2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide is sourced from PubChem (CID 136574217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).