N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

C20H25ClN2O3S — CID 26244985

IUPACN-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-23(4-2)27(25,26)18-12-9-16(10-13-18)11-14-20(24)22-15-17-7-5-6-8-19(17)21/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,22,24)
InChIKeyIANGZIWFWMZKRU-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.62
Rot. Bonds9

About N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 26244985) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID26244985
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-3-23(4-2)27(25,26)18-12-9-16(10-13-18)11-14-20(24)22-15-17-7-5-6-8-19(17)21/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,22,24)
InChIKeyIANGZIWFWMZKRU-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 35380229
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55578028
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
N-[(2-chlorophenyl)methyl]-3-[4-(1-phenylethylsulfamoyl)phenyl]propanamide
CID 4543169
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 26244985) is N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is IANGZIWFWMZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-3-23(4-2)27(25,26)18-12-9-16(10-13-18)11-14-20(24)22-15-17-7-5-6-8-19(17)21/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 408.95 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 26244985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).