N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C27H34N2O3S — CID 126034706

IUPACN-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C27H34N2O3S/c1-3-19-4-10-25(11-5-19)29(33(2,31)32)18-26(30)28-24-8-6-23(7-9-24)27-15-20-12-21(16-27)14-22(13-20)17-27/h4-11,20-22H,3,12-18H2,1-2H3,(H,28,30)
InChIKeyKVBHGWMLHUQESO-UHFFFAOYSA-N
MW466.65 g/mol
LogP5.12
Rot. Bonds7

About N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 126034706) has the molecular formula C27H34N2O3S and a molecular weight of 466.65 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID126034706
Molecular FormulaC27H34N2O3S
Molecular Weight466.65 g/mol
Exact Mass466.23
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C27H34N2O3S/c1-3-19-4-10-25(11-5-19)29(33(2,31)32)18-26(30)28-24-8-6-23(7-9-24)27-15-20-12-21(16-27)14-22(13-20)17-27/h4-11,20-22H,3,12-18H2,1-2H3,(H,28,30)
InChIKeyKVBHGWMLHUQESO-UHFFFAOYSA-N
XLogP5.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide
CID 126191553
N-[4-(dimethylamino)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154194
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2974731
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-prop-2-enylacetamide
CID 3546323
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
2-(4-ethyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 951908
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,6-difluorophenyl)acetamide
CID 2976519
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-ethoxyphenyl)acetamide
CID 2962803
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 43909360
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 3438302
N-[4-(1-adamantyl)phenyl]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126035039

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 126034706) is N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is KVBHGWMLHUQESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3S/c1-3-19-4-10-25(11-5-19)29(33(2,31)32)18-26(30)28-24-8-6-23(7-9-24)27-15-20-12-21(16-27)14-22(13-20)17-27/h4-11,20-22H,3,12-18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-[4-(1-adamantyl)phenyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 466.65 g/mol, XLogP of 5.12, 7 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-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126034706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).