N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide

C17H19BrN2O3S — CID 3466870

IUPACN-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-10-3-13(4-11-16)5-12-17(21)20-15-8-6-14(18)7-9-15/h3-4,6-11,19H,2,5,12H2,1H3,(H,20,21)
InChIKeyRNPGKMIMURQMSY-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.32
Rot. Bonds7

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

N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (PubChem CID 3466870) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
PubChem CID3466870
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-10-3-13(4-11-16)5-12-17(21)20-15-8-6-14(18)7-9-15/h3-4,6-11,19H,2,5,12H2,1H3,(H,20,21)
InChIKeyRNPGKMIMURQMSY-UHFFFAOYSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-[4-(ethylsulfamoyl)phenyl]butanamide
CID 2992581
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475
4-[4-(ethylsulfamoyl)anilino]-4-oxobutanoic acid
CID 60941281
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
5-bromo-N-[4-(ethylsulfamoyl)phenyl]pentanamide
CID 107908944
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
5-[4-(ethylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60941283
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
3-[4-(ethylsulfamoyl)phenyl]-N-propylpropanamide
CID 2224602
N-(2-chlorophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 2984291

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide (CID 3466870) is N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
The InChIKey is RNPGKMIMURQMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-2-19-24(22,23)16-10-3-13(4-11-16)5-12-17(21)20-15-8-6-14(18)7-9-15/h3-4,6-11,19H,2,5,12H2,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide?
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide has a molecular weight of 411.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3466870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).