N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide

C22H30N2O4S — CID 4794318

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCCOc2cccc(C)c2)c1
InChIInChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-12-18(4)21(16-20)23-22(25)11-8-14-28-19-10-7-9-17(3)15-19/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3,(H,23,25)
InChIKeyJELGUOBIZMAMSE-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.13
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide (PubChem CID 4794318) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
PubChem CID4794318
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCCOc2cccc(C)c2)c1
InChIInChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-12-18(4)21(16-20)23-22(25)11-8-14-28-19-10-7-9-17(3)15-19/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3,(H,23,25)
InChIKeyJELGUOBIZMAMSE-UHFFFAOYSA-N
XLogP4.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 7929037
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
CID 55983828
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
2-(3-methylphenoxy)ethyl 4-(diethylsulfamoyl)benzoate
CID 2557330
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 42972484
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 7688971
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
CID 112793578
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide (CID 4794318) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCCOc2cccc(C)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide?
The InChIKey is JELGUOBIZMAMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-12-18(4)21(16-20)23-22(25)11-8-14-28-19-10-7-9-17(3)15-19/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide has a molecular weight of 418.56 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 4794318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).