N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide

C21H28N2O5S — CID 108759083

IUPACN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O5S/c1-17-6-3-4-7-20(17)28-14-5-8-21(24)22-16-18-9-11-19(12-10-18)29(25,26)23-13-15-27-2/h3-4,6-7,9-12,23H,5,8,13-16H2,1-2H3,(H,22,24)
InChIKeyHFICWGZUHAPVFI-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.40
Rot. Bonds12

About N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide (PubChem CID 108759083) has the molecular formula C21H28N2O5S and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
PubChem CID108759083
Molecular FormulaC21H28N2O5S
Molecular Weight420.53 g/mol
Exact Mass420.17
IUPAC NameN-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
SMILESCOCCNS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O5S/c1-17-6-3-4-7-20(17)28-14-5-8-21(24)22-16-18-9-11-19(12-10-18)29(25,26)23-13-15-27-2/h3-4,6-7,9-12,23H,5,8,13-16H2,1-2H3,(H,22,24)
InChIKeyHFICWGZUHAPVFI-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]propanamide;hydrochloride
CID 119296315
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
CID 108573067
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108759067
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 32606836
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
CID 108572911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The IUPAC name of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide (CID 108759083) is N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The canonical SMILES for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide is COCCNS(=O)(=O)c1ccc(CNC(=O)CCCOc2ccccc2C)cc1.
What is the InChIKey of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
The InChIKey is HFICWGZUHAPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5S/c1-17-6-3-4-7-20(17)28-14-5-8-21(24)22-16-18-9-11-19(12-10-18)29(25,26)23-13-15-27-2/h3-4,6-7,9-12,23H,5,8,13-16H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide?
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide has a molecular weight of 420.53 g/mol, XLogP of 2.40, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide is sourced from PubChem (CID 108759083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).