N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide

C24H27N3O4S — CID 20880612

IUPACN-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C24H27N3O4S/c1-31-20-12-4-3-9-19(20)17-26-23(28)24(14-5-2-6-15-24)27-32(29,30)21-13-7-10-18-11-8-16-25-22(18)21/h3-4,7-13,16,27H,2,5-6,14-15,17H2,1H3,(H,26,28)
InChIKeyVGGYVODHBHDXKJ-UHFFFAOYSA-N
MW453.56 g/mol
LogP3.54
Rot. Bonds7

About N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20880612) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20880612
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCOc1ccccc1CNC(=O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1
InChIInChI=1S/C24H27N3O4S/c1-31-20-12-4-3-9-19(20)17-26-23(28)24(14-5-2-6-15-24)27-32(29,30)21-13-7-10-18-11-8-16-25-22(18)21/h3-4,7-13,16,27H,2,5-6,14-15,17H2,1H3,(H,26,28)
InChIKeyVGGYVODHBHDXKJ-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

Analyze N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20880612) is N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide is COc1ccccc1CNC(=O)C1(NS(=O)(=O)c2cccc3cccnc23)CCCCC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is VGGYVODHBHDXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-31-20-12-4-3-9-19(20)17-26-23(28)24(14-5-2-6-15-24)27-32(29,30)21-13-7-10-18-11-8-16-25-22(18)21/h3-4,7-13,16,27H,2,5-6,14-15,17H2,1H3,(H,26,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide?
N-[(2-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-[(2-methoxyphenyl)methyl]-1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20880612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).