N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

C21H27BrN2O3S — CID 28557418

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H27BrN2O3S/c1-4-24(5-2)28(26,27)20-13-6-17(7-14-20)8-15-21(25)23-16(3)18-9-11-19(22)12-10-18/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyJADHGHSIKXKOGL-INIZCTEOSA-N
MW467.43 g/mol
LogP4.29
Rot. Bonds9

About N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide

N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 28557418) has the molecular formula C21H27BrN2O3S and a molecular weight of 467.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
PubChem CID28557418
Molecular FormulaC21H27BrN2O3S
Molecular Weight467.43 g/mol
Exact Mass466.09
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H27BrN2O3S/c1-4-24(5-2)28(26,27)20-13-6-17(7-14-20)8-15-21(25)23-16(3)18-9-11-19(22)12-10-18/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyJADHGHSIKXKOGL-INIZCTEOSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 28547717
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119243803
1-(4-bromophenyl)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 55520759
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94861126
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
N-[1-(4-bromophenyl)ethyl]-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 43872386
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide (CID 28557418) is N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is JADHGHSIKXKOGL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27BrN2O3S/c1-4-24(5-2)28(26,27)20-13-6-17(7-14-20)8-15-21(25)23-16(3)18-9-11-19(22)12-10-18/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 467.43 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 28557418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).