N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C17H19BrN2O5S — CID 55975758

IUPACN-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(Br)c2)ccc1OC
InChIInChI=1S/C17H19BrN2O5S/c1-19-26(22,23)16-10-12(6-7-15(16)24-2)17(21)20-8-9-25-14-5-3-4-13(18)11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyOKCDLHZZKVEFOT-UHFFFAOYSA-N
MW443.32 g/mol
LogP2.17
Rot. Bonds8

About N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 55975758) has the molecular formula C17H19BrN2O5S and a molecular weight of 443.32 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID55975758
Molecular FormulaC17H19BrN2O5S
Molecular Weight443.32 g/mol
Exact Mass442.02
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(Br)c2)ccc1OC
InChIInChI=1S/C17H19BrN2O5S/c1-19-26(22,23)16-10-12(6-7-15(16)24-2)17(21)20-8-9-25-14-5-3-4-13(18)11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyOKCDLHZZKVEFOT-UHFFFAOYSA-N
XLogP2.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-4-(methylsulfamoyl)benzamide
CID 55976141
N-(3-bromophenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742194
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 55348301
4-methoxy-N-[3-(methylamino)propyl]-3-(methylsulfamoyl)benzamide;hydrochloride
CID 119432718
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
methyl (3R)-3-(3-bromophenyl)-3-[[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 52908538
N-[(3-bromophenyl)methyl]-3-(tert-butylsulfamoyl)-4-methoxybenzamide
CID 55577278
4-(2-amino-2-oxoethoxy)-N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 55919848
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 55975758) is N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCCOc2cccc(Br)c2)ccc1OC.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is OKCDLHZZKVEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S/c1-19-26(22,23)16-10-12(6-7-15(16)24-2)17(21)20-8-9-25-14-5-3-4-13(18)11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 443.32 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55975758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).