N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide

C21H27N3O5S2 — CID 27656182

IUPACN-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21
InChIInChI=1S/C21H27N3O5S2/c1-4-30(26,27)24-13-5-6-16-14-18(9-12-20(16)24)23-31(28,29)19-10-7-17(8-11-19)22-21(25)15(2)3/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyXHZNUHLVKVBGBQ-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.18
Rot. Bonds7

About N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide

N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 27656182) has the molecular formula C21H27N3O5S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID27656182
Molecular FormulaC21H27N3O5S2
Molecular Weight465.60 g/mol
Exact Mass465.14
IUPAC NameN-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21
InChIInChI=1S/C21H27N3O5S2/c1-4-30(26,27)24-13-5-6-16-14-18(9-12-20(16)24)23-31(28,29)19-10-7-17(8-11-19)22-21(25)15(2)3/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,22,25)
InChIKeyXHZNUHLVKVBGBQ-UHFFFAOYSA-N
XLogP3.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2,4-dimethylbenzenesulfonamide
CID 27656188
1-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-(4-fluorophenyl)urea
CID 30374225
3-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxybenzenesulfonamide
CID 42448515
4-chloro-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963050
4-ethyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 20963035
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3-methylsulfonylpropanamide
CID 110623308
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1-naphthalen-1-ylmethanesulfonamide
CID 43955982
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
N-(cyclopentylsulfamoyl)-1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 110623316
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 27656111

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide (CID 27656182) is N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide is CCS(=O)(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(NC(=O)C(C)C)cc3)ccc21.
What is the InChIKey of N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is XHZNUHLVKVBGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2/c1-4-30(26,27)24-13-5-6-16-14-18(9-12-20(16)24)23-31(28,29)19-10-7-17(8-11-19)22-21(25)15(2)3/h7-12,14-15,23H,4-6,13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide?
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 465.60 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 27656182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).