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

C27H30N2O4S — CID 4841294

IUPAC3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)cc2)c1
InChIInChI=1S/C27H30N2O4S/c1-20-8-6-12-25(18-20)33-24-16-14-22(15-17-24)28-27(30)21-9-7-13-26(19-21)34(31,32)29(2)23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11H2,1-2H3,(H,28,30)
InChIKeyLSOAZAFGQFIZMV-UHFFFAOYSA-N
MW478.61 g/mol
LogP5.99
Rot. Bonds7

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

3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide (PubChem CID 4841294) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide
PubChem CID4841294
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC Name3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)cc2)c1
InChIInChI=1S/C27H30N2O4S/c1-20-8-6-12-25(18-20)33-24-16-14-22(15-17-24)28-27(30)21-9-7-13-26(19-21)34(31,32)29(2)23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11H2,1-2H3,(H,28,30)
InChIKeyLSOAZAFGQFIZMV-UHFFFAOYSA-N
XLogP5.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide?
The IUPAC name of 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide (CID 4841294) is 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide is Cc1cccc(Oc2ccc(NC(=O)c3cccc(S(=O)(=O)N(C)C4CCCCC4)c3)cc2)c1.
What is the InChIKey of 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide?
The InChIKey is LSOAZAFGQFIZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-20-8-6-12-25(18-20)33-24-16-14-22(15-17-24)28-27(30)21-9-7-13-26(19-21)34(31,32)29(2)23-10-4-3-5-11-23/h6-9,12-19,23H,3-5,10-11H2,1-2H3,(H,28,30).
What are the key properties of 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide?
3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide has a molecular weight of 478.61 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)sulfamoyl]-N-[4-(3-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 4841294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).