2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide

C12H17BrN2O4S — CID 15020216

IUPAC2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(C)NC(=O)CBr)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrN2O4S/c1-8(15-12(16)7-13)5-9-3-4-10(19-2)11(6-9)20(14,17)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGDAJPDXFJALKNT-UHFFFAOYSA-N
MW365.25 g/mol
LogP0.78
Rot. Bonds6

About 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide

2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide (PubChem CID 15020216) has the molecular formula C12H17BrN2O4S and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
PubChem CID15020216
Molecular FormulaC12H17BrN2O4S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
SMILESCOc1ccc(CC(C)NC(=O)CBr)cc1S(N)(=O)=O
InChIInChI=1S/C12H17BrN2O4S/c1-8(15-12(16)7-13)5-9-3-4-10(19-2)11(6-9)20(14,17)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyGDAJPDXFJALKNT-UHFFFAOYSA-N
XLogP0.78
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide
CID 14099978
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
5-[(2R)-2-[[(R)-tert-butylsulfinyl]amino]propyl]-2-methoxybenzenesulfonamide
CID 25268876
5-[2-(benzylamino)propyl]-2-methoxybenzenesulfonamide
CID 10382246
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
2-methoxy-5-[2-(1-phenylethylamino)propyl]benzenesulfonamide
CID 14179760
2-methoxy-5-[(2R)-2-(2-phenoxyethylamino)propyl]benzenesulfonamide
CID 96869335
5-[(2R)-2-[2-(2-ethoxyphenoxy)ethylamino]propyl]-2-methoxybenzenesulfonamide;oxalic acid
CID 25009120
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901
[2-[2-[[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]amino]ethoxy]phenyl] hydrogen sulfate
CID 154731599
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]acetamide
CID 71757647

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide (CID 15020216) is 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide is COc1ccc(CC(C)NC(=O)CBr)cc1S(N)(=O)=O.
What is the InChIKey of 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
The InChIKey is GDAJPDXFJALKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O4S/c1-8(15-12(16)7-13)5-9-3-4-10(19-2)11(6-9)20(14,17)18/h3-4,6,8H,5,7H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide?
2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide has a molecular weight of 365.25 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 15020216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).