2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

C17H20BrN3O3S — CID 55351564

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H20BrN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyZPRNHBFIDIHHJK-UHFFFAOYSA-N
MW426.34 g/mol
LogP2.56
Rot. Bonds6

About 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 55351564) has the molecular formula C17H20BrN3O3S and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID55351564
Molecular FormulaC17H20BrN3O3S
Molecular Weight426.34 g/mol
Exact Mass425.04
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1Br
InChIInChI=1S/C17H20BrN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyZPRNHBFIDIHHJK-UHFFFAOYSA-N
XLogP2.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 2657912
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
(2S)-2-[methyl(2-phenoxyethyl)amino]-N-(4-sulfamoylphenyl)propanamide
CID 8514636
methyl 2-[(2-bromophenyl)methyl-methylamino]propanoate
CID 60705715
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
(2R)-2-[(2-bromophenyl)methyl-methylamino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94589884
(2S)-2-[(2-bromophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 8515538
2-[(2-bromophenyl)methyl-methylamino]-N,N-di(propan-2-yl)propanamide
CID 55430697
(2R)-2-[benzyl(methyl)amino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 9356689
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 55351564) is 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ZPRNHBFIDIHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S/c1-12(21(2)11-13-5-3-4-6-16(13)18)17(22)20-14-7-9-15(10-8-14)25(19,23)24/h3-10,12H,11H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 426.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55351564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).