N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

C24H37NO5S — CID 55508408

IUPACN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCCOc1ccc(C(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)C(C)C)cc1OCC
InChIInChI=1S/C24H37NO5S/c1-7-29-19-10-9-17(13-20(19)30-8-2)22(16(3)4)25-31(27,28)15-24-12-11-18(14-21(24)26)23(24,5)6/h9-10,13,16,18,22,25H,7-8,11-12,14-15H2,1-6H3
InChIKeyBNMWHPJYWGOUMJ-UHFFFAOYSA-N
MW451.63 g/mol
LogP4.50
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 55508408) has the molecular formula C24H37NO5S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID55508408
Molecular FormulaC24H37NO5S
Molecular Weight451.63 g/mol
Exact Mass451.24
IUPAC NameN-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCCOc1ccc(C(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)C(C)C)cc1OCC
InChIInChI=1S/C24H37NO5S/c1-7-29-19-10-9-17(13-20(19)30-8-2)22(16(3)4)25-31(27,28)15-24-12-11-18(14-21(24)26)23(24,5)6/h9-10,13,16,18,22,25H,7-8,11-12,14-15H2,1-6H3
InChIKeyBNMWHPJYWGOUMJ-UHFFFAOYSA-N
XLogP4.50
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide with MolForge

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Related Compounds

1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-N-(2-hydroxy-1-phenylpropyl)methanesulfonamide
CID 59854274
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
CID 11635903
CID 11635903
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;tris(2,4,6-triethoxyphenyl)sulfanium
CID 161131614
N-[(1R)-1-(3,4-diethoxyphenyl)-2-methylpropyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 26201902
N-[2-(difluoromethoxy)phenyl]-1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 2431390
N-(3,5-dichlorophenyl)-1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonamide
CID 23430829
1-[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 730436
2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-4-oxopentanoic acid
CID 141007098
(2S)-3-amino-2-[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]propanoic acid;hydrochloride
CID 70234659
[(1R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 20747894
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;5-[2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide
CID 22280890

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 55508408) is N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CCOc1ccc(C(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)C(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is BNMWHPJYWGOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO5S/c1-7-29-19-10-9-17(13-20(19)30-8-2)22(16(3)4)25-31(27,28)15-24-12-11-18(14-21(24)26)23(24,5)6/h9-10,13,16,18,22,25H,7-8,11-12,14-15H2,1-6H3.
What are the key properties of N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 451.63 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 55508408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).