N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide

C23H24N2O4S — CID 993437

IUPACN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyIPIPZWUBIRRSHV-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.55
Rot. Bonds5

About N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide

N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide (PubChem CID 993437) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide
PubChem CID993437
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide
SMILESCOc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C23H24N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyIPIPZWUBIRRSHV-UHFFFAOYSA-N
XLogP4.55
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylbutanamide
CID 7573869
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
2-(4-methoxyphenyl)ethyl quinoline-8-sulfonate
CID 102369873
N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
ethyl 2-[[cyclohexyl(quinolin-8-ylsulfonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3421026
N-[(3-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876140
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-(4-methylphenyl)sulfonyl-N-phenylcyclohexanecarboxamide
CID 19210513
(1R,6S)-N-quinolin-8-ylsulfonylbicyclo[4.1.0]heptane-7-carboxamide
CID 96565285

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide?
The IUPAC name of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide (CID 993437) is N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide is COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide?
The InChIKey is IPIPZWUBIRRSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-29-20-14-12-19(13-15-20)25(23(26)18-7-3-2-4-8-18)30(27,28)21-11-5-9-17-10-6-16-24-22(17)21/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide?
N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-quinolin-8-ylsulfonylcyclohexanecarboxamide is sourced from PubChem (CID 993437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).