N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide

C12H18BrN3O3S — CID 120711584

IUPACN-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)N)cc1Br
InChIInChI=1S/C12H18BrN3O3S/c1-8(17)16-11-5-4-9(6-10(11)13)20(18,19)15-7-12(2,3)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyLYZRLAXMIYQYPX-UHFFFAOYSA-N
MW364.27 g/mol
LogP1.42
Rot. Bonds5

About N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide

N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide (PubChem CID 120711584) has the molecular formula C12H18BrN3O3S and a molecular weight of 364.27 g/mol. Its IUPAC name is N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
PubChem CID120711584
Molecular FormulaC12H18BrN3O3S
Molecular Weight364.27 g/mol
Exact Mass363.03
IUPAC NameN-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)N)cc1Br
InChIInChI=1S/C12H18BrN3O3S/c1-8(17)16-11-5-4-9(6-10(11)13)20(18,19)15-7-12(2,3)14/h4-6,15H,7,14H2,1-3H3,(H,16,17)
InChIKeyLYZRLAXMIYQYPX-UHFFFAOYSA-N
XLogP1.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-sulfamoylphenyl)acetamide
CID 23645682
N-(4-(((4-Bromophenyl)amino)sulfonyl)phenyl)acetamide
CID 984584
2-(4-bromoanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4806474
N-(2-bromophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884049
2-Amino-N-[(2-bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-acetamide
CID 10666501
N-(2-bromo-4-sulfamoyl-phenyl)-2-methylamino-acetamide
CID 10734581
2-Amino-N-(2-bromo-4-sulfamoyl-phenyl)-acetamide
CID 10804696
N-(2-Bromo-4-sulfamoyl-phenyl)-2-(N-methyl-guanidino)-acetamide
CID 10832570
{[(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
CID 10915515
({2-[(2-{[(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-ethyl}-carboxymethyl-amino)-acetic acid
CID 10930187
2-Propyl-pentanoic acid (2-bromo-4-sulfamoyl-phenyl)-amide
CID 11079355
(2-{[(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethylamino)-acetic acid
CID 11101626

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide?
The IUPAC name of N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide (CID 120711584) is N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide.
What is the SMILES notation for N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide?
The canonical SMILES for N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(C)(C)N)cc1Br.
What is the InChIKey of N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide?
The InChIKey is LYZRLAXMIYQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O3S/c1-8(17)16-11-5-4-9(6-10(11)13)20(18,19)15-7-12(2,3)14/h4-6,15H,7,14H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide?
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide has a molecular weight of 364.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide is sourced from PubChem (CID 120711584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).