N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

C20H28N2O3S — CID 51113796

IUPACN-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O
InChIInChI=1S/C20H28N2O3S/c1-22(26(2,24)25)13-19(23)21-18-5-3-17(4-6-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,23)
InChIKeyCEHBWKAXORQEFR-UHFFFAOYSA-N
MW376.52 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 51113796) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID51113796
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O
InChIInChI=1S/C20H28N2O3S/c1-22(26(2,24)25)13-19(23)21-18-5-3-17(4-6-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,23)
InChIKeyCEHBWKAXORQEFR-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide
CID 100698136
N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 100704773
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide
CID 126191553
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126034706
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2974731
methyl 4-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]benzoate
CID 30464552
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033402
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 3546323
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3438302
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43909360
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,6-difluorophenyl)acetamide
CID 2976519

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 51113796) is N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is CEHBWKAXORQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-22(26(2,24)25)13-19(23)21-18-5-3-17(4-6-18)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,14-16H,7-13H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 376.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 51113796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).