N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C19H25N3O3S — CID 6622896

IUPACN-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H25N3O3S/c1-14-7-3-4-10-16(14)21-18(23)13-22(2)26(24,25)17-11-5-8-15-9-6-12-20-19(15)17/h5-6,8-9,11-12,14,16H,3-4,7,10,13H2,1-2H3,(H,21,23)
InChIKeyNKCJLLSGDIRBCN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.55
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 6622896) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID6622896
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C19H25N3O3S/c1-14-7-3-4-10-16(14)21-18(23)13-22(2)26(24,25)17-11-5-8-15-9-6-12-20-19(15)17/h5-6,8-9,11-12,14,16H,3-4,7,10,13H2,1-2H3,(H,21,23)
InChIKeyNKCJLLSGDIRBCN-UHFFFAOYSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide 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-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 6622896) is N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is NKCJLLSGDIRBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-7-3-4-10-16(14)21-18(23)13-22(2)26(24,25)17-11-5-8-15-9-6-12-20-19(15)17/h5-6,8-9,11-12,14,16H,3-4,7,10,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 6622896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).