3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

C23H32N2O4S — CID 37358087

IUPAC3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-4-25(5-2)30(27,28)22-14-11-19(12-15-22)13-16-23(26)24-17-20-7-9-21(10-8-20)18-29-6-3/h7-12,14-15H,4-6,13,16-18H2,1-3H3,(H,24,26)
InChIKeyUISACIYMRLJTCK-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.50
Rot. Bonds12

About 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide

3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (PubChem CID 37358087) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
PubChem CID37358087
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
SMILESCCOCc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C23H32N2O4S/c1-4-25(5-2)30(27,28)22-14-11-19(12-15-22)13-16-23(26)24-17-20-7-9-21(10-8-20)18-29-6-3/h7-12,14-15H,4-6,13,16-18H2,1-3H3,(H,24,26)
InChIKeyUISACIYMRLJTCK-UHFFFAOYSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide (CID 37358087) is 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide is CCOCc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
The InChIKey is UISACIYMRLJTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-4-25(5-2)30(27,28)22-14-11-19(12-15-22)13-16-23(26)24-17-20-7-9-21(10-8-20)18-29-6-3/h7-12,14-15H,4-6,13,16-18H2,1-3H3,(H,24,26).
What are the key properties of 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide?
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.50, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 37358087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).