N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide

C19H23BrN2O3S — CID 126268267

IUPACN-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-7-14(8-11-17)9-12-18(23)21-16-6-4-5-15(20)13-16/h4-8,10-11,13,22H,9,12H2,1-3H3,(H,21,23)
InChIKeyFBGMBUYUZJPDEN-UHFFFAOYSA-N
MW439.38 g/mol
LogP4.10
Rot. Bonds6

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

N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (PubChem CID 126268267) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
PubChem CID126268267
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC NameN-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-7-14(8-11-17)9-12-18(23)21-16-6-4-5-15(20)13-16/h4-8,10-11,13,22H,9,12H2,1-3H3,(H,21,23)
InChIKeyFBGMBUYUZJPDEN-UHFFFAOYSA-N
XLogP4.10
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3627107
3-[4-(benzylsulfamoyl)phenyl]-N-(3-bromophenyl)propanamide
CID 126256740
N-(3-bromophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126367263
N-(3-bromophenyl)-3-(4-tert-butylphenyl)propanamide
CID 19221197
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 100796453
3-[4-(tert-butylsulfamoyl)phenyl]-N-(4-phenoxyphenyl)propanamide
CID 4044394
3-[4-(tert-butylsulfamoyl)phenyl]-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]propanamide
CID 136818206
3-[4-(tert-butylsulfamoyl)phenyl]-N-(2,4,5-trichlorophenyl)propanamide
CID 126257708
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylbutanamide
CID 1293342
N-(3-methylphenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 126363159
N-(3-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113000546

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide (CID 126268267) is N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
The InChIKey is FBGMBUYUZJPDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-7-14(8-11-17)9-12-18(23)21-16-6-4-5-15(20)13-16/h4-8,10-11,13,22H,9,12H2,1-3H3,(H,21,23).
What are the key properties of N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide?
N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide has a molecular weight of 439.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 126268267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).