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

C25H29N3O4S — CID 20880571

IUPACN-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-32-22-13-9-18(10-14-22)16-27-25(29)21-11-7-19(8-12-21)17-28-33(30,31)23-6-2-4-20-5-3-15-26-24(20)23/h2-6,9-10,13-15,19,21,28H,7-8,11-12,16-17H2,1H3,(H,27,29)
InChIKeyCGUQDZOTVIOHSE-UHFFFAOYSA-N
MW467.59 g/mol
LogP3.64
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 20880571) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID20880571
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C25H29N3O4S/c1-32-22-13-9-18(10-14-22)16-27-25(29)21-11-7-19(8-12-21)17-28-33(30,31)23-6-2-4-20-5-3-15-26-24(20)23/h2-6,9-10,13-15,19,21,28H,7-8,11-12,16-17H2,1H3,(H,27,29)
InChIKeyCGUQDZOTVIOHSE-UHFFFAOYSA-N
XLogP3.64
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 20880571) is N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is COc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is CGUQDZOTVIOHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-32-22-13-9-18(10-14-22)16-27-25(29)21-11-7-19(8-12-21)17-28-33(30,31)23-6-2-4-20-5-3-15-26-24(20)23/h2-6,9-10,13-15,19,21,28H,7-8,11-12,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 20880571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).