2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide

C21H27N3O4S — CID 1264335

IUPAC2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1cccnc1
InChIInChI=1S/C21H27N3O4S/c1-16-12-19(29(26,27)24-18-7-3-2-4-8-18)9-10-20(16)28-15-21(25)23-14-17-6-5-11-22-13-17/h5-6,9-13,18,24H,2-4,7-8,14-15H2,1H3,(H,23,25)
InChIKeyQVCJJNGGYPUQIA-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.70
Rot. Bonds8

About 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1264335) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1264335
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1cccnc1
InChIInChI=1S/C21H27N3O4S/c1-16-12-19(29(26,27)24-18-7-3-2-4-8-18)9-10-20(16)28-15-21(25)23-14-17-6-5-11-22-13-17/h5-6,9-13,18,24H,2-4,7-8,14-15H2,1H3,(H,23,25)
InChIKeyQVCJJNGGYPUQIA-UHFFFAOYSA-N
XLogP2.70
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 1264335) is 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1cccnc1.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is QVCJJNGGYPUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-12-19(29(26,27)24-18-7-3-2-4-8-18)9-10-20(16)28-15-21(25)23-14-17-6-5-11-22-13-17/h5-6,9-13,18,24H,2-4,7-8,14-15H2,1H3,(H,23,25).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 417.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1264335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).