2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide

C18H24N2O3S — CID 3440976

IUPAC2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)
InChIKeyIOBDJZDMMNHNAM-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.88
Rot. Bonds4

About 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide

2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 3440976) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID3440976
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23)
InChIKeyIOBDJZDMMNHNAM-UHFFFAOYSA-N
XLogP2.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(4-sulfamoylphenyl)acetamide
CID 729977
N-[4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 51039927
4-(Valproylamido)Benzenesulfonamide
CID 10266719
(2s)-2-Tert-Butyl-N-(4-Sulfamoylphenyl)pentanamide
CID 53308637
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
4-cyclohexyl-N-(3-sulfamoylphenyl)butanamide
CID 3919954
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 1071416
2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 2904589
N-(4-sulfamoylphenyl)adamantane-1-carboxamide
CID 3774719
N-Phenyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 4352323
2-ethyl-N-(4-sulfamoylphenyl)hexanamide
CID 5223338
2-Ethyl-3,3-dimethyl-N-(4-sulfamoylphenyl)butyramide
CID 46236927

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide (CID 3440976) is 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is IOBDJZDMMNHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c19-24(22,23)16-3-1-15(2-4-16)20-17(21)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide?
2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 348.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 3440976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).