N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

C28H32N2O5S — CID 4955000

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C28H32N2O5S/c1-30(24-10-4-2-5-11-24)36(32,33)27-17-15-23(16-18-27)29-28(31)22-9-8-14-26(21-22)35-20-19-34-25-12-6-3-7-13-25/h3,6-9,12-18,21,24H,2,4-5,10-11,19-20H2,1H3,(H,29,31)
InChIKeyJVFUJKBCASYCSR-UHFFFAOYSA-N
MW508.64 g/mol
LogP5.35
Rot. Bonds10

About N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (PubChem CID 4955000) has the molecular formula C28H32N2O5S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
PubChem CID4955000
Molecular FormulaC28H32N2O5S
Molecular Weight508.64 g/mol
Exact Mass508.20
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1
InChIInChI=1S/C28H32N2O5S/c1-30(24-10-4-2-5-11-24)36(32,33)27-17-15-23(16-18-27)29-28(31)22-9-8-14-26(21-22)35-20-19-34-25-12-6-3-7-13-25/h3,6-9,12-18,21,24H,2,4-5,10-11,19-20H2,1H3,(H,29,31)
InChIKeyJVFUJKBCASYCSR-UHFFFAOYSA-N
XLogP5.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.64
LogP ≤ 55.35
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

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 4960073
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-(2-phenylethoxy)benzamide
CID 17134683
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide
CID 4954653
3-(2-phenoxyethoxy)-N-(4-sulfamoylphenyl)benzamide
CID 4954916
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
3-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 17342762
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide
CID 4954948
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide (CID 4955000) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc(OCCOc3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
The InChIKey is JVFUJKBCASYCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5S/c1-30(24-10-4-2-5-11-24)36(32,33)27-17-15-23(16-18-27)29-28(31)22-9-8-14-26(21-22)35-20-19-34-25-12-6-3-7-13-25/h3,6-9,12-18,21,24H,2,4-5,10-11,19-20H2,1H3,(H,29,31).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide has a molecular weight of 508.64 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 4955000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).