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

C24H27N3O4S — CID 20880608

IUPACN-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(NS(=O)(=O)c3cccc4cccnc34)CCCCC2)cc1
InChIInChI=1S/C24H27N3O4S/c1-31-20-12-10-18(11-13-20)17-26-23(28)24(14-3-2-4-15-24)27-32(29,30)21-9-5-7-19-8-6-16-25-22(19)21/h5-13,16,27H,2-4,14-15,17H2,1H3,(H,26,28)
InChIKeyQDRZMFYJMBZRFE-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.54
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20880608) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20880608
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2(NS(=O)(=O)c3cccc4cccnc34)CCCCC2)cc1
InChIInChI=1S/C24H27N3O4S/c1-31-20-12-10-18(11-13-20)17-26-23(28)24(14-3-2-4-15-24)27-32(29,30)21-9-5-7-19-8-6-16-25-22(19)21/h5-13,16,27H,2-4,14-15,17H2,1H3,(H,26,28)
InChIKeyQDRZMFYJMBZRFE-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
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]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20880608) is N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide is COc1ccc(CNC(=O)C2(NS(=O)(=O)c3cccc4cccnc34)CCCCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is QDRZMFYJMBZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-31-20-12-10-18(11-13-20)17-26-23(28)24(14-3-2-4-15-24)27-32(29,30)21-9-5-7-19-8-6-16-25-22(19)21/h5-13,16,27H,2-4,14-15,17H2,1H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20880608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).