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

C20H25BrN2O3S — CID 55578028

IUPACN-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-15-17-6-5-7-18(21)14-17/h5-9,11-12,14H,3-4,10,13,15H2,1-2H3,(H,22,24)
InChIKeyVPYVZXVSTPSDNR-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.73
Rot. Bonds9

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

N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 55578028) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID55578028
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC NameN-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(Br)c2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-15-17-6-5-7-18(21)14-17/h5-9,11-12,14H,3-4,10,13,15H2,1-2H3,(H,22,24)
InChIKeyVPYVZXVSTPSDNR-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
N-(1,3-benzodioxol-5-ylmethyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27658888
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 60574292
3-[4-(diethylsulfamoyl)phenyl]-N-[[4-(ethoxymethyl)phenyl]methyl]propanamide
CID 37358087
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 31640298
4-(4-bromophenyl)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-oxobutanamide
CID 26423118
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-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 55578028) is N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is VPYVZXVSTPSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-3-23(4-2)27(25,26)19-11-8-16(9-12-19)10-13-20(24)22-15-17-6-5-7-18(21)14-17/h5-9,11-12,14H,3-4,10,13,15H2,1-2H3,(H,22,24).
What are the key properties of N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 453.40 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55578028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).