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

C18H21BrN2O4S — CID 39731459

IUPAC2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-13-5-3-4-6-14(13)12-20-18(22)16-11-15(7-8-17(16)19)26(23,24)21-9-10-25-2/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyBMVMTXIGGYMVSP-UHFFFAOYSA-N
MW441.35 g/mol
LogP2.61
Rot. Bonds8

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

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 39731459) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
PubChem CID39731459
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2C)c1
InChIInChI=1S/C18H21BrN2O4S/c1-13-5-3-4-6-14(13)12-20-18(22)16-11-15(7-8-17(16)19)26(23,24)21-9-10-25-2/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyBMVMTXIGGYMVSP-UHFFFAOYSA-N
XLogP2.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
2-bromo-N-[2-(N-ethyl-2-methylanilino)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 55725310
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
2-bromo-5-(dimethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 9104218
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
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-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
N-[(3-chlorophenyl)methyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 51163643
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide (CID 39731459) is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2ccccc2C)c1.
What is the InChIKey of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is BMVMTXIGGYMVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-13-5-3-4-6-14(13)12-20-18(22)16-11-15(7-8-17(16)19)26(23,24)21-9-10-25-2/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide?
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 441.35 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 39731459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).