N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

C18H21BrN2O3S — CID 126267768

IUPACN-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-2-13-20-25(23,24)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-3-5-16(17)19/h3-8,10-11,20H,2,9,12-13H2,1H3,(H,21,22)
InChIKeyDZJMNWUSKPEXBO-UHFFFAOYSA-N
MW425.35 g/mol
LogP3.71
Rot. Bonds8

About N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide

N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (PubChem CID 126267768) has the molecular formula C18H21BrN2O3S and a molecular weight of 425.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
PubChem CID126267768
Molecular FormulaC18H21BrN2O3S
Molecular Weight425.35 g/mol
Exact Mass424.05
IUPAC NameN-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O3S/c1-2-13-20-25(23,24)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-3-5-16(17)19/h3-8,10-11,20H,2,9,12-13H2,1H3,(H,21,22)
InChIKeyDZJMNWUSKPEXBO-UHFFFAOYSA-N
XLogP3.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 126242030
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902
N-(2-bromophenyl)-3-(4-fluorophenyl)propanamide
CID 51194781
N-(2-bromophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1319136
N-(2-bromophenyl)butanamide
CID 732405
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 28557137
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
N-(2,3-dichlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3998601
N-(2-bromophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26536910
3-[4-(ethylsulfamoyl)phenyl]-N-(2-phenoxyphenyl)propanamide
CID 126395833

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide (CID 126267768) is N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
The InChIKey is DZJMNWUSKPEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3S/c1-2-13-20-25(23,24)15-10-7-14(8-11-15)9-12-18(22)21-17-6-4-3-5-16(17)19/h3-8,10-11,20H,2,9,12-13H2,1H3,(H,21,22).
What are the key properties of N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide?
N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide has a molecular weight of 425.35 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[4-(propylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 126267768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).