2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

C21H26FN3O3S — CID 55627178

IUPAC2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C21H26FN3O3S/c1-15(2)24(3)29(27,28)19-9-7-18(8-10-19)23-21(26)14-25-12-4-5-16-13-17(22)6-11-20(16)25/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,26)
InChIKeyPEABSWSGHXQCJO-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.25
Rot. Bonds6

About 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide

2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 55627178) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
PubChem CID55627178
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3cc(F)ccc32)cc1
InChIInChI=1S/C21H26FN3O3S/c1-15(2)24(3)29(27,28)19-9-7-18(8-10-19)23-21(26)14-25-12-4-5-16-13-17(22)6-11-20(16)25/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,26)
InChIKeyPEABSWSGHXQCJO-UHFFFAOYSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46405945
N-(4-methylsulfonylphenyl)-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 37203473
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 46405965
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 27162002
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46405968
N-[4-(difluoromethoxy)phenyl]-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8593590
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
N-[4-(diethylsulfamoyl)phenyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654347
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 51313250
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
2-bromo-5-fluoro-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]benzamide
CID 26369634
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]acetamide
CID 24616694

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide (CID 55627178) is 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)CN2CCCc3cc(F)ccc32)cc1.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is PEABSWSGHXQCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c1-15(2)24(3)29(27,28)19-9-7-18(8-10-19)23-21(26)14-25-12-4-5-16-13-17(22)6-11-20(16)25/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,23,26).
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide?
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 419.52 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55627178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).