N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide

C22H30N2O4S — CID 7929037

IUPACN-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)19-11-10-17(4)20(15-19)23-22(25)12-13-28-21-14-16(3)8-9-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)
InChIKeyYXAMHEDITJAJCC-UHFFFAOYSA-N
MW418.56 g/mol
LogP4.05
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide

N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide (PubChem CID 7929037) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
PubChem CID7929037
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)19-11-10-17(4)20(15-19)23-22(25)12-13-28-21-14-16(3)8-9-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25)
InChIKeyYXAMHEDITJAJCC-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
N-[5-(diethylsulfamoyl)-2-methylphenyl]-4-(3-methylphenoxy)butanamide
CID 4794318
3-(2,5-dimethylphenoxy)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 4802672
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
N-(2,5-dimethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 45373249
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(3-methylphenoxy)propanamide
CID 24643917
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
2-(2,5-dimethylphenoxy)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 18196078
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide (CID 7929037) is N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CCOc2cc(C)ccc2C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
The InChIKey is YXAMHEDITJAJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)19-11-10-17(4)20(15-19)23-22(25)12-13-28-21-14-16(3)8-9-18(21)5/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide?
N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(2,5-dimethylphenoxy)propanamide has a molecular weight of 418.56 g/mol, XLogP of 4.05, 9 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]-3-(2,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 7929037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).