5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide

C23H29BrN2O5S — CID 17357269

IUPAC5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H29BrN2O5S/c1-26(19-6-4-3-5-7-19)32(28,29)20-11-9-18(10-12-20)25-23(27)21-16-17(24)8-13-22(21)31-15-14-30-2/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,27)
InChIKeyVONUENJOLHAAHN-UHFFFAOYSA-N
MW525.47 g/mol
LogP4.68
Rot. Bonds9

About 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide

5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17357269) has the molecular formula C23H29BrN2O5S and a molecular weight of 525.47 g/mol. Its IUPAC name is 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17357269
Molecular FormulaC23H29BrN2O5S
Molecular Weight525.47 g/mol
Exact Mass524.10
IUPAC Name5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C23H29BrN2O5S/c1-26(19-6-4-3-5-7-19)32(28,29)20-11-9-18(10-12-20)25-23(27)21-16-17(24)8-13-22(21)31-15-14-30-2/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,27)
InChIKeyVONUENJOLHAAHN-UHFFFAOYSA-N
XLogP4.68
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.47
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357163
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954653
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-2-propoxybenzamide
CID 17352047
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4955000
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide (CID 17357269) is 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is VONUENJOLHAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O5S/c1-26(19-6-4-3-5-7-19)32(28,29)20-11-9-18(10-12-20)25-23(27)21-16-17(24)8-13-22(21)31-15-14-30-2/h8-13,16,19H,3-7,14-15H2,1-2H3,(H,25,27).
What are the key properties of 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide?
5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 525.47 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).