2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide

C18H21BrN2O5S — CID 17474206

IUPAC2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21BrN2O5S/c1-25-10-9-21-27(23,24)15-7-8-17(19)16(11-15)18(22)20-12-13-3-5-14(26-2)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXLVWOOZFKPYTQM-UHFFFAOYSA-N
MW457.35 g/mol
LogP2.31
Rot. Bonds9

About 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 17474206) has the molecular formula C18H21BrN2O5S and a molecular weight of 457.35 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID17474206
Molecular FormulaC18H21BrN2O5S
Molecular Weight457.35 g/mol
Exact Mass456.04
IUPAC Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21BrN2O5S/c1-25-10-9-21-27(23,24)15-7-8-17(19)16(11-15)18(22)20-12-13-3-5-14(26-2)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyXLVWOOZFKPYTQM-UHFFFAOYSA-N
XLogP2.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 52.31
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

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
2-bromo-N-[(4-methoxyphenyl)methyl]-5-sulfanylbenzamide
CID 107020380
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]naphthalene-1-carboxamide
CID 108759091
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-[(4-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 136782588
methyl N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]carbamate
CID 108735953

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide (CID 17474206) is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is XLVWOOZFKPYTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O5S/c1-25-10-9-21-27(23,24)15-7-8-17(19)16(11-15)18(22)20-12-13-3-5-14(26-2)6-4-13/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide?
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 457.35 g/mol, XLogP of 2.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 17474206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).