N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

C27H25N3O3S — CID 55864343

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C27H25N3O3S/c1-17-7-5-8-18(2)26(17)30-34(32,33)20-15-13-19(14-16-20)28-27(31)25-21-9-3-4-11-23(21)29-24-12-6-10-22(24)25/h3-5,7-9,11,13-16,30H,6,10,12H2,1-2H3,(H,28,31)
InChIKeyGXNOQGKCXZKUBA-UHFFFAOYSA-N
MW471.58 g/mol
LogP5.39
Rot. Bonds5

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (PubChem CID 55864343) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
PubChem CID55864343
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1
InChIInChI=1S/C27H25N3O3S/c1-17-7-5-8-18(2)26(17)30-34(32,33)20-15-13-19(14-16-20)28-27(31)25-21-9-3-4-11-23(21)29-24-12-6-10-22(24)25/h3-5,7-9,11,13-16,30H,6,10,12H2,1-2H3,(H,28,31)
InChIKeyGXNOQGKCXZKUBA-UHFFFAOYSA-N
XLogP5.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 3678676
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46815982
methyl 4-(1,2,3,4-tetrahydroacridine-9-carbonylamino)benzoate
CID 9247815
N-(4-ethoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2314335
N-(4-morpholin-4-ylphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 8961124
N-(3-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 862180
2-[4-(2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120696655
N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 46809389
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 2115782

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide (CID 55864343) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCC3)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
The InChIKey is GXNOQGKCXZKUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-17-7-5-8-18(2)26(17)30-34(32,33)20-15-13-19(14-16-20)28-27(31)25-21-9-3-4-11-23(21)29-24-12-6-10-22(24)25/h3-5,7-9,11,13-16,30H,6,10,12H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide is sourced from PubChem (CID 55864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).