2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide

C14H21BrN2O5S — CID 43006104

IUPAC2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)COC)c1
InChIInChI=1S/C14H21BrN2O5S/c1-10(9-22-3)17-14(18)12-8-11(4-5-13(12)15)23(19,20)16-6-7-21-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyHYAGRAAXACTWID-UHFFFAOYSA-N
MW409.30 g/mol
LogP1.14
Rot. Bonds9

About 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide

2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 43006104) has the molecular formula C14H21BrN2O5S and a molecular weight of 409.30 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID43006104
Molecular FormulaC14H21BrN2O5S
Molecular Weight409.30 g/mol
Exact Mass408.04
IUPAC Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)COC)c1
InChIInChI=1S/C14H21BrN2O5S/c1-10(9-22-3)17-14(18)12-8-11(4-5-13(12)15)23(19,20)16-6-7-21-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyHYAGRAAXACTWID-UHFFFAOYSA-N
XLogP1.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 51.14
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-N-[1-(3-chlorophenyl)ethyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 43005612
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
N-heptan-2-yl-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 46515959
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
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 31541259
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
2-bromo-N-[[(1R,3S)-3-hydroxycyclohexyl]methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 96509275
2-bromo-N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]-5-(2-methoxyethylsulfamoyl)benzamide
CID 96509276

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide (CID 43006104) is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NC(C)COC)c1.
What is the InChIKey of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is HYAGRAAXACTWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O5S/c1-10(9-22-3)17-14(18)12-8-11(4-5-13(12)15)23(19,20)16-6-7-21-2/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide?
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 409.30 g/mol, XLogP of 1.14, 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-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 43006104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).