N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide

C22H27BrN2O5S — CID 3546890

IUPACN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC)cc1Br
InChIInChI=1S/C22H27BrN2O5S/c1-3-30-19-11-10-17(13-18(19)23)25-31(27,28)21-14-16(9-12-20(21)29-2)24-22(26)15-7-5-4-6-8-15/h9-15,25H,3-8H2,1-2H3,(H,24,26)
InChIKeyQZPMVKLYWZONNO-UHFFFAOYSA-N
MW511.44 g/mol
LogP5.18
Rot. Bonds8

About N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide

N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide (PubChem CID 3546890) has the molecular formula C22H27BrN2O5S and a molecular weight of 511.44 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
PubChem CID3546890
Molecular FormulaC22H27BrN2O5S
Molecular Weight511.44 g/mol
Exact Mass510.08
IUPAC NameN-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC)cc1Br
InChIInChI=1S/C22H27BrN2O5S/c1-3-30-19-11-10-17(13-18(19)23)25-31(27,28)21-14-16(9-12-20(21)29-2)24-22(26)15-7-5-4-6-8-15/h9-15,25H,3-8H2,1-2H3,(H,24,26)
InChIKeyQZPMVKLYWZONNO-UHFFFAOYSA-N
XLogP5.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 25335431
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 25374190
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]oxolane-2-carboxamide
CID 43007147
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-2-cyano-3-phenylprop-2-enamide
CID 4195705
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
N-[3-ethoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]-3-oxocyclohexane-1-carboxamide
CID 170336459
N-[3-[(3-bromo-4-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 26875602
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]cyclopropanecarboxamide
CID 9470209

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide (CID 3546890) is N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide is CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide?
The InChIKey is QZPMVKLYWZONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O5S/c1-3-30-19-11-10-17(13-18(19)23)25-31(27,28)21-14-16(9-12-20(21)29-2)24-22(26)15-7-5-4-6-8-15/h9-15,25H,3-8H2,1-2H3,(H,24,26).
What are the key properties of N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide?
N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide has a molecular weight of 511.44 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 3546890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).