2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide

C21H33BrN2O4S — CID 33295438

IUPAC2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1
InChIInChI=1S/C21H33BrN2O4S/c1-5-21(2,3)15-6-8-16(9-7-15)24-20(25)18-14-17(10-11-19(18)22)29(26,27)23-12-13-28-4/h10-11,14-16,23H,5-9,12-13H2,1-4H3,(H,24,25)
InChIKeyIPDVZVNXOTURPL-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.10
Rot. Bonds9

About 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide (PubChem CID 33295438) has the molecular formula C21H33BrN2O4S and a molecular weight of 489.48 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
PubChem CID33295438
Molecular FormulaC21H33BrN2O4S
Molecular Weight489.48 g/mol
Exact Mass488.13
IUPAC Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1
InChIInChI=1S/C21H33BrN2O4S/c1-5-21(2,3)15-6-8-16(9-7-15)24-20(25)18-14-17(10-11-19(18)22)29(26,27)23-12-13-28-4/h10-11,14-16,23H,5-9,12-13H2,1-4H3,(H,24,25)
InChIKeyIPDVZVNXOTURPL-UHFFFAOYSA-N
XLogP4.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.10
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

5-(2-methoxyethylsulfamoyl)-2-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 36821044
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
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
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
CID 9209150
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
cis-(1R,3S)-3-[[5-(2-methoxyethylsulfamoyl)-2-methylbenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677603
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-N-(3-ethylphenyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 43006074
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 119455312
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide?
The IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide (CID 33295438) is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide is CCC(C)(C)C1CCC(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)CC1.
What is the InChIKey of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide?
The InChIKey is IPDVZVNXOTURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33BrN2O4S/c1-5-21(2,3)15-6-8-16(9-7-15)24-20(25)18-14-17(10-11-19(18)22)29(26,27)23-12-13-28-4/h10-11,14-16,23H,5-9,12-13H2,1-4H3,(H,24,25).
What are the key properties of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide?
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide has a molecular weight of 489.48 g/mol, XLogP of 4.10, 9 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-[4-(2-methylbutan-2-yl)cyclohexyl]benzamide is sourced from PubChem (CID 33295438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).