2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide

C19H23BrN2O3S — CID 60616288

IUPAC2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-5-4-8-15(17)13-21-18(23)12-14-7-6-9-16(20)11-14/h4-11,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyVDOGEJYWWLTRFH-UHFFFAOYSA-N
MW439.38 g/mol
LogP3.38
Rot. Bonds6

About 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide

2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 60616288) has the molecular formula C19H23BrN2O3S and a molecular weight of 439.38 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
PubChem CID60616288
Molecular FormulaC19H23BrN2O3S
Molecular Weight439.38 g/mol
Exact Mass438.06
IUPAC Name2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-5-4-8-15(17)13-21-18(23)12-14-7-6-9-16(20)11-14/h4-11,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyVDOGEJYWWLTRFH-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119751202
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 48583777
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-(3,5-dimethylphenoxy)propanamide
CID 48583873
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111899911
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111876297
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide (CID 60616288) is 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is VDOGEJYWWLTRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S/c1-19(2,3)22-26(24,25)17-10-5-4-8-15(17)13-21-18(23)12-14-7-6-9-16(20)11-14/h4-11,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide?
2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 439.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 60616288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).