2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide

C23H36N2O4S — CID 144522416

IUPAC2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
SMILESCOc1ccc(S(=O)NC(C)(C)C(=O)NC2C(C)CC3CC(C)CC2C3)c(OC)c1
InChIInChI=1S/C23H36N2O4S/c1-14-9-16-11-15(2)21(17(10-14)12-16)24-22(26)23(3,4)25-30(27)20-8-7-18(28-5)13-19(20)29-6/h7-8,13-17,21,25H,9-12H2,1-6H3,(H,24,26)
InChIKeySDGKBSGVTXAADC-UHFFFAOYSA-N
MW436.62 g/mol
LogP3.67
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide

2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide (PubChem CID 144522416) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
PubChem CID144522416
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC Name2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
SMILESCOc1ccc(S(=O)NC(C)(C)C(=O)NC2C(C)CC3CC(C)CC2C3)c(OC)c1
InChIInChI=1S/C23H36N2O4S/c1-14-9-16-11-15(2)21(17(10-14)12-16)24-22(26)23(3,4)25-30(27)20-8-7-18(28-5)13-19(20)29-6/h7-8,13-17,21,25H,9-12H2,1-6H3,(H,24,26)
InChIKeySDGKBSGVTXAADC-UHFFFAOYSA-N
XLogP3.67
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide with MolForge

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Related Compounds

2-[(3-fluoro-4-methoxyphenyl)sulfinylamino]-N-(7-formyl-3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
CID 144522932
(E)-N-(2-adamantyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 78798816
4-[[2-(3-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid
CID 174792015
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
4-[[2-(3-bromo-4-methoxyphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxamide
CID 66887647
(5S,7R)-3-bromo-N-(2,4-dimethoxyphenyl)adamantane-1-carboxamide
CID 7698259
2-[(3-chlorophenyl)sulfanylamino]-N-(3-ethyl-7-methyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
CID 144522717
N-(5-cyano-2-adamantyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide
CID 66887384
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
4-[3-[(2,4-dimethoxyphenyl)sulfonylamino]-3-methyl-2-oxobutyl]adamantane-1-carboxamide
CID 159625064
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide (CID 144522416) is 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide is COc1ccc(S(=O)NC(C)(C)C(=O)NC2C(C)CC3CC(C)CC2C3)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The InChIKey is SDGKBSGVTXAADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-14-9-16-11-15(2)21(17(10-14)12-16)24-22(26)23(3,4)25-30(27)20-8-7-18(28-5)13-19(20)29-6/h7-8,13-17,21,25H,9-12H2,1-6H3,(H,24,26).
What are the key properties of 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide has a molecular weight of 436.62 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)sulfinylamino]-N-(3,7-dimethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide is sourced from PubChem (CID 144522416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).