N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide

C25H30N2O3S — CID 18286681

IUPACN-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3S/c28-24(26-11-10-25-15-18-12-19(16-25)14-20(13-18)17-25)21-6-8-22(9-7-21)27-31(29,30)23-4-2-1-3-5-23/h1-9,18-20,27H,10-17H2,(H,26,28)
InChIKeyIFSDNHIHUBJSPF-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.82
Rot. Bonds7

About N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide

N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide (PubChem CID 18286681) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
PubChem CID18286681
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide
SMILESO=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3S/c28-24(26-11-10-25-15-18-12-19(16-25)14-20(13-18)17-25)21-6-8-22(9-7-21)27-31(29,30)23-4-2-1-3-5-23/h1-9,18-20,27H,10-17H2,(H,26,28)
InChIKeyIFSDNHIHUBJSPF-UHFFFAOYSA-N
XLogP4.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
N-[2-(1-adamantyl)ethyl]-4-chlorobenzamide
CID 2918721
N-[2-(1-adamantyl)ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 26878695
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
4-(benzenesulfonamido)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 31147171
N-[2-(1-adamantyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 4020681
N-[2-(1-adamantyl)ethyl]-2-bromobenzamide
CID 43008517
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
4-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650129

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide (CID 18286681) is N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide is O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide?
The InChIKey is IFSDNHIHUBJSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c28-24(26-11-10-25-15-18-12-19(16-25)14-20(13-18)17-25)21-6-8-22(9-7-21)27-31(29,30)23-4-2-1-3-5-23/h1-9,18-20,27H,10-17H2,(H,26,28).
What are the key properties of N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide?
N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide has a molecular weight of 438.59 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-4-(benzenesulfonamido)benzamide is sourced from PubChem (CID 18286681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).