N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

C22H28N2O4S — CID 66887384

IUPACN-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)NC2C3CC4CC2CC(C#N)(C4)C3)cc1
InChIInChI=1S/C22H28N2O4S/c1-21(2,29(26,27)18-6-4-17(28-3)5-7-18)20(25)24-19-15-8-14-9-16(19)12-22(10-14,11-15)13-23/h4-7,14-16,19H,8-12H2,1-3H3,(H,24,25)
InChIKeyJAXZXARLRYJORN-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.08
Rot. Bonds5

About N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide

N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (PubChem CID 66887384) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
PubChem CID66887384
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(C)(C)C(=O)NC2C3CC4CC2CC(C#N)(C4)C3)cc1
InChIInChI=1S/C22H28N2O4S/c1-21(2,29(26,27)18-6-4-17(28-3)5-7-18)20(25)24-19-15-8-14-9-16(19)12-22(10-14,11-15)13-23/h4-7,14-16,19H,8-12H2,1-3H3,(H,24,25)
InChIKeyJAXZXARLRYJORN-UHFFFAOYSA-N
XLogP3.08
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxy-2-adamantyl)-2-methyl-2-[(4-nitrophenyl)sulfonylamino]propanamide
CID 71247049
4-[[2-(3-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 174792015
N-[(1S,3R)-5-hydroxy-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
CID 59658188
4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
CID 21099738
N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
CID 59658186
N,N'-bis(2-adamantyl)-2,2-dimethylpropanediamide
CID 8990556
N-(2-adamantyl)-2-(4-methoxyphenoxy)acetamide
CID 883714
4-[[2-[(4-methoxyphenyl)methoxy]-2-methylpropanethioyl]amino]adamantane-1-carboxylic acid
CID 87440752
N-(5-cyano-2-adamantyl)-5-(methoxymethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 127038025
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 11545617
4-[[2-(4-aminophenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 11581516
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 59662655

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide (CID 66887384) is N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is COc1ccc(S(=O)(=O)C(C)(C)C(=O)NC2C3CC4CC2CC(C#N)(C4)C3)cc1.
What is the InChIKey of N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
The InChIKey is JAXZXARLRYJORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-21(2,29(26,27)18-6-4-17(28-3)5-7-18)20(25)24-19-15-8-14-9-16(19)12-22(10-14,11-15)13-23/h4-7,14-16,19H,8-12H2,1-3H3,(H,24,25).
What are the key properties of N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide?
N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide has a molecular weight of 416.54 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 66887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).