2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide

C20H27ClN2O4S — CID 11604308

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC1CC(S(N)(=O)=O)(C3)C2
InChIInChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyMEKFEFJATTVXSH-UHFFFAOYSA-N
MW426.97 g/mol
LogP2.85
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide (PubChem CID 11604308) has the molecular formula C20H27ClN2O4S and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide
PubChem CID11604308
Molecular FormulaC20H27ClN2O4S
Molecular Weight426.97 g/mol
Exact Mass426.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC1CC(S(N)(=O)=O)(C3)C2
InChIInChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26)
InChIKeyMEKFEFJATTVXSH-UHFFFAOYSA-N
XLogP2.85
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide 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 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide (CID 11604308) is 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1C2CC3CC1CC(S(N)(=O)=O)(C3)C2.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide?
The InChIKey is MEKFEFJATTVXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O4S/c1-19(2,27-16-5-3-15(21)4-6-16)18(24)23-17-13-7-12-8-14(17)11-20(9-12,10-13)28(22,25)26/h3-6,12-14,17H,7-11H2,1-2H3,(H,23,24)(H2,22,25,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide has a molecular weight of 426.97 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(5-sulfamoyl-2-adamantyl)propanamide is sourced from PubChem (CID 11604308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).