N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide

C24H35N3O6S — CID 4811879

IUPACN-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1
InChIInChI=1S/C24H35N3O6S/c1-4-26(5-2)34(31,32)20-6-7-22(21(11-20)27(29)30)33-15-23(28)25-16(3)24-12-17-8-18(13-24)10-19(9-17)14-24/h6-7,11,16-19H,4-5,8-10,12-15H2,1-3H3,(H,25,28)
InChIKeyMRNBPCXTBWWHNM-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.73
Rot. Bonds10

About N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide

N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (PubChem CID 4811879) has the molecular formula C24H35N3O6S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
PubChem CID4811879
Molecular FormulaC24H35N3O6S
Molecular Weight493.63 g/mol
Exact Mass493.22
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1
InChIInChI=1S/C24H35N3O6S/c1-4-26(5-2)34(31,32)20-6-7-22(21(11-20)27(29)30)33-15-23(28)25-16(3)24-12-17-8-18(13-24)10-19(9-17)14-24/h6-7,11,16-19H,4-5,8-10,12-15H2,1-3H3,(H,25,28)
InChIKeyMRNBPCXTBWWHNM-UHFFFAOYSA-N
XLogP3.73
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2-methylpropyl)acetamide
CID 4234441
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetate
CID 7127670
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetic acid
CID 3843135
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 7502158
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 4215025
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 98398450
N-(1,3-benzodioxol-5-yl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3283411
N-(3-aminopropyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 119407055
N-[4-(diethylamino)phenyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 3953984
2-[4-(diethylsulfamoyl)-2-nitrophenoxy]-N-(propylcarbamoyl)acetamide
CID 5123407
N,N-diethyl-4-(2-methylpropoxy)-3-nitrobenzenesulfonamide
CID 7680375
N-(butylcarbamoyl)-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide
CID 27323109

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide (CID 4811879) is N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NC(C)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
The InChIKey is MRNBPCXTBWWHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O6S/c1-4-26(5-2)34(31,32)20-6-7-22(21(11-20)27(29)30)33-15-23(28)25-16(3)24-12-17-8-18(13-24)10-19(9-17)14-24/h6-7,11,16-19H,4-5,8-10,12-15H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide?
N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide has a molecular weight of 493.63 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-[4-(diethylsulfamoyl)-2-nitrophenoxy]acetamide is sourced from PubChem (CID 4811879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).