N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide

C23H30N2O5S — CID 55308081

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(CCC(C)=O)cc2)ccc1C
InChIInChI=1S/C23H30N2O5S/c1-5-25(6-2)31(28,29)22-15-20(12-7-17(22)3)24-23(27)16-30-21-13-10-19(11-14-21)9-8-18(4)26/h7,10-15H,5-6,8-9,16H2,1-4H3,(H,24,27)
InChIKeyLXCSVAOFHNYFCC-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.56
Rot. Bonds11

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide (PubChem CID 55308081) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
PubChem CID55308081
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(CCC(C)=O)cc2)ccc1C
InChIInChI=1S/C23H30N2O5S/c1-5-25(6-2)31(28,29)22-15-20(12-7-17(22)3)24-23(27)16-30-21-13-10-19(11-14-21)9-8-18(4)26/h7,10-15H,5-6,8-9,16H2,1-4H3,(H,24,27)
InChIKeyLXCSVAOFHNYFCC-UHFFFAOYSA-N
XLogP3.56
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504642
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-phenoxyethoxy)acetamide
CID 55752933
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-methylphenoxy)acetamide
CID 26522302
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
2-(4-bromo-2-fluorophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 25443427
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 16570848
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 30837665
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
cis-[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020660
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3945718

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide (CID 55308081) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)COc2ccc(CCC(C)=O)cc2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
The InChIKey is LXCSVAOFHNYFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-5-25(6-2)31(28,29)22-15-20(12-7-17(22)3)24-23(27)16-30-21-13-10-19(11-14-21)9-8-18(4)26/h7,10-15H,5-6,8-9,16H2,1-4H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(3-oxobutyl)phenoxy]acetamide is sourced from PubChem (CID 55308081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).