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

C24H27N3O4S — CID 20880559

IUPACN-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)c1
InChIInChI=1S/C24H27N3O4S/c1-31-21-8-3-7-20(15-21)27-24(28)19-12-10-17(11-13-19)16-26-32(29,30)22-9-2-5-18-6-4-14-25-23(18)22/h2-9,14-15,17,19,26H,10-13,16H2,1H3,(H,27,28)
InChIKeyCLQSAHRNHAIYBG-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.97
Rot. Bonds7

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

N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 20880559) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID20880559
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)c1
InChIInChI=1S/C24H27N3O4S/c1-31-21-8-3-7-20(15-21)27-24(28)19-12-10-17(11-13-19)16-26-32(29,30)22-9-2-5-18-6-4-14-25-23(18)22/h2-9,14-15,17,19,26H,10-13,16H2,1H3,(H,27,28)
InChIKeyCLQSAHRNHAIYBG-UHFFFAOYSA-N
XLogP3.97
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 20880559) is N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is COc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is CLQSAHRNHAIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-31-21-8-3-7-20(15-21)27-24(28)19-12-10-17(11-13-19)16-26-32(29,30)22-9-2-5-18-6-4-14-25-23(18)22/h2-9,14-15,17,19,26H,10-13,16H2,1H3,(H,27,28).
What are the key properties of N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20880559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).