N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C25H29ClN2O3S — CID 100704773

IUPACN-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN2O3S/c1-28(32(30,31)23-8-4-21(26)5-9-23)16-24(29)27-22-6-2-20(3-7-22)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19H,10-16H2,1H3,(H,27,29)
InChIKeyGYMIRBAWLPJFEB-UHFFFAOYSA-N
MW473.04 g/mol
LogP5.07
Rot. Bonds6

About N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 100704773) has the molecular formula C25H29ClN2O3S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID100704773
Molecular FormulaC25H29ClN2O3S
Molecular Weight473.04 g/mol
Exact Mass472.16
IUPAC NameN-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C25H29ClN2O3S/c1-28(32(30,31)23-8-4-21(26)5-9-23)16-24(29)27-22-6-2-20(3-7-22)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19H,10-16H2,1H3,(H,27,29)
InChIKeyGYMIRBAWLPJFEB-UHFFFAOYSA-N
XLogP5.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.04
LogP ≤ 55.07
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-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126033402
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
N-[4-(1-adamantyl)phenyl]-2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126035524
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366
N-[4-(1-adamantyl)phenyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126032993
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 94079433

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 100704773) is N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is GYMIRBAWLPJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN2O3S/c1-28(32(30,31)23-8-4-21(26)5-9-23)16-24(29)27-22-6-2-20(3-7-22)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19H,10-16H2,1H3,(H,27,29).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 473.04 g/mol, XLogP of 5.07, 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-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 100704773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).