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

C25H30N2O3S — CID 100698136

IUPACN-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N2O3S/c1-27(31(29,30)23-5-3-2-4-6-23)17-24(28)26-22-9-7-21(8-10-22)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20H,11-17H2,1H3,(H,26,28)
InChIKeyBJDMSMQSRCTWPQ-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.41
Rot. Bonds6

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

N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide (PubChem CID 100698136) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide
PubChem CID100698136
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H30N2O3S/c1-27(31(29,30)23-5-3-2-4-6-23)17-24(28)26-22-9-7-21(8-10-22)25-14-18-11-19(15-25)13-20(12-18)16-25/h2-10,18-20H,11-17H2,1H3,(H,26,28)
InChIKeyBJDMSMQSRCTWPQ-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 100704773
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
N-[4-(1-adamantyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 23875417
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033402
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[benzenesulfonyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26944736
2-[benzenesulfonyl(methyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 4241588
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126035524
2-[benzenesulfonyl(methyl)amino]-N-(9H-fluoren-2-yl)acetamide
CID 46408845
N-[4-(1-adamantyl)phenyl]-2-chloro-5-[ethyl(phenyl)sulfamoyl]benzamide
CID 4285874

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide (CID 100698136) is N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide?
The InChIKey is BJDMSMQSRCTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-27(31(29,30)23-5-3-2-4-6-23)17-24(28)26-22-9-7-21(8-10-22)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 N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide?
N-[4-(1-adamantyl)phenyl]-2-[benzenesulfonyl(methyl)amino]acetamide has a molecular weight of 438.59 g/mol, XLogP of 4.41, 6 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-[benzenesulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 100698136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).