N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C25H29N3O3S — CID 20880578

IUPACN-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1C
InChIInChI=1S/C25H29N3O3S/c1-17-8-13-22(15-18(17)2)28-25(29)21-11-9-19(10-12-21)16-27-32(30,31)23-7-3-5-20-6-4-14-26-24(20)23/h3-8,13-15,19,21,27H,9-12,16H2,1-2H3,(H,28,29)
InChIKeyZJEFJNUKLMNQLF-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.58
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 20880578) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID20880578
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1C
InChIInChI=1S/C25H29N3O3S/c1-17-8-13-22(15-18(17)2)28-25(29)21-11-9-19(10-12-21)16-27-32(30,31)23-7-3-5-20-6-4-14-26-24(20)23/h3-8,13-15,19,21,27H,9-12,16H2,1-2H3,(H,28,29)
InChIKeyZJEFJNUKLMNQLF-UHFFFAOYSA-N
XLogP4.58
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 92667491
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 11443242
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
CID 20862360
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 20862326
N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430555
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
(2R)-N-(4-bromo-3-methylphenyl)-3-methyl-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 20880578) is N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZJEFJNUKLMNQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17-8-13-22(15-18(17)2)28-25(29)21-11-9-19(10-12-21)16-27-32(30,31)23-7-3-5-20-6-4-14-26-24(20)23/h3-8,13-15,19,21,27H,9-12,16H2,1-2H3,(H,28,29).
What are the key properties of N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).