2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide

C25H30N2O3S — CID 126191553

IUPAC2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H30N2O3S/c1-31(29,30)27(17-24(28)26-22-5-3-2-4-6-22)23-9-7-21(8-10-23)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20H,11-17H2,1H3,(H,26,28)
InChIKeyWDLVADYBDMEWJT-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.56
Rot. Bonds6

About 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide

2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide (PubChem CID 126191553) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide
PubChem CID126191553
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C25H30N2O3S/c1-31(29,30)27(17-24(28)26-22-5-3-2-4-6-22)23-9-7-21(8-10-23)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20H,11-17H2,1H3,(H,26,28)
InChIKeyWDLVADYBDMEWJT-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2,6-difluorophenyl)acetamide
CID 2976519
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-phenylpropyl)acetamide
CID 133189369
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-ethoxyphenyl)acetamide
CID 2962803
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
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
N-[4-(1-adamantyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 126031363
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-tert-butylsulfanylethyl)acetamide
CID 2976607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide?
The IUPAC name of 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide (CID 126191553) is 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide?
The canonical SMILES for 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide?
The InChIKey is WDLVADYBDMEWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-31(29,30)27(17-24(28)26-22-5-3-2-4-6-22)23-9-7-21(8-10-23)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20H,11-17H2,1H3,(H,26,28).
What are the key properties of 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide?
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide has a molecular weight of 438.59 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-phenylacetamide is sourced from PubChem (CID 126191553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).