N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide

C22H27NO3S — CID 90624243

IUPACN-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cccc3ccccc23)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H27NO3S/c1-26-22(18-10-15-9-16(12-18)13-19(22)11-15)14-23-27(24,25)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,18-19,23H,9-14H2,1H3
InChIKeyLDBSRNPEQWLBQB-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.96
Rot. Bonds5

About N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide

N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide (PubChem CID 90624243) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide
PubChem CID90624243
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide
SMILESCOC1(CNS(=O)(=O)c2cccc3ccccc23)C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H27NO3S/c1-26-22(18-10-15-9-16(12-18)13-19(22)11-15)14-23-27(24,25)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,18-19,23H,9-14H2,1H3
InChIKeyLDBSRNPEQWLBQB-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-2-adamantyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 90624211
N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide
CID 90624207
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 120896514
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[(2-methoxy-2-adamantyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 90624265
N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 139889293
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(3-bromo-2,2-dimethylpropyl)naphthalene-1-sulfonamide
CID 114795680
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide (CID 90624243) is N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide is COC1(CNS(=O)(=O)c2cccc3ccccc23)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide?
The InChIKey is LDBSRNPEQWLBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-26-22(18-10-15-9-16(12-18)13-19(22)11-15)14-23-27(24,25)21-8-4-6-17-5-2-3-7-20(17)21/h2-8,15-16,18-19,23H,9-14H2,1H3.
What are the key properties of N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide?
N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide has a molecular weight of 385.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 90624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).