N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C24H33N3O3S — CID 20880566

IUPACN-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H33N3O3S/c28-24(27-21-9-3-1-2-4-10-21)20-14-12-18(13-15-20)17-26-31(29,30)22-11-5-7-19-8-6-16-25-23(19)22/h5-8,11,16,18,20-21,26H,1-4,9-10,12-15,17H2,(H,27,28)
InChIKeyMZOXMGKGKWSCKH-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.16
Rot. Bonds6

About N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 20880566) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID20880566
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H33N3O3S/c28-24(27-21-9-3-1-2-4-10-21)20-14-12-18(13-15-20)17-26-31(29,30)22-11-5-7-19-8-6-16-25-23(19)22/h5-8,11,16,18,20-21,26H,1-4,9-10,12-15,17H2,(H,27,28)
InChIKeyMZOXMGKGKWSCKH-UHFFFAOYSA-N
XLogP4.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 92667491
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880578
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N-cyclooctylcyclohexane-1-carboxamide
CID 5323384
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45210111
N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 20880566) is N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is O=C(NC1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is MZOXMGKGKWSCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c28-24(27-21-9-3-1-2-4-10-21)20-14-12-18(13-15-20)17-26-31(29,30)22-11-5-7-19-8-6-16-25-23(19)22/h5-8,11,16,18,20-21,26H,1-4,9-10,12-15,17H2,(H,27,28).
What are the key properties of N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 443.61 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20880566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).