2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide

C18H21BrN2O4S — CID 43006074

IUPAC2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)c1
InChIInChI=1S/C18H21BrN2O4S/c1-3-13-5-4-6-14(11-13)21-18(22)16-12-15(7-8-17(16)19)26(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyAAKKXUVPDKVVJL-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.19
Rot. Bonds8

About 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide

2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide (PubChem CID 43006074) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
PubChem CID43006074
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
SMILESCCc1cccc(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)c1
InChIInChI=1S/C18H21BrN2O4S/c1-3-13-5-4-6-14(11-13)21-18(22)16-12-15(7-8-17(16)19)26(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyAAKKXUVPDKVVJL-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
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-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
5-(benzylsulfamoyl)-2-bromo-N-phenylbenzamide
CID 1101750
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
4-(2-methoxyethylsulfamoyl)-N-(3-methylphenyl)benzamide
CID 35437620
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 43005612
2-bromo-5-(dimethylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9299980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The IUPAC name of 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide (CID 43006074) is 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide is CCc1cccc(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide?
The InChIKey is AAKKXUVPDKVVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-3-13-5-4-6-14(11-13)21-18(22)16-12-15(7-8-17(16)19)26(23,24)20-9-10-25-2/h4-8,11-12,20H,3,9-10H2,1-2H3,(H,21,22).
What are the key properties of 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide?
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide has a molecular weight of 441.35 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide is sourced from PubChem (CID 43006074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).