N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide

C20H23BrN2O4S — CID 25335431

IUPACN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2C)cc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-3-27-18-10-9-16(11-17(18)21)23-28(25,26)19-12-15(8-7-13(19)2)22-20(24)14-5-4-6-14/h7-12,14,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyVQAIHAGDGZLKAI-UHFFFAOYSA-N
MW467.39 g/mol
LogP4.70
Rot. Bonds7

About N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide

N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide (PubChem CID 25335431) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
PubChem CID25335431
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2C)cc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-3-27-18-10-9-16(11-17(18)21)23-28(25,26)19-12-15(8-7-13(19)2)22-20(24)14-5-4-6-14/h7-12,14,23H,3-6H2,1-2H3,(H,22,24)
InChIKeyVQAIHAGDGZLKAI-UHFFFAOYSA-N
XLogP4.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
CID 3546890
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 129376635
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
CID 170336459
N-[4-methyl-3-(methylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 78788592
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclopentane-1-carboxamide
CID 170336374
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide (CID 25335431) is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCC3)ccc2C)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
The InChIKey is VQAIHAGDGZLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-3-27-18-10-9-16(11-17(18)21)23-28(25,26)19-12-15(8-7-13(19)2)22-20(24)14-5-4-6-14/h7-12,14,23H,3-6H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide?
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide has a molecular weight of 467.39 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 25335431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).