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

C20H24ClN3O4S — CID 1093379

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O4S/c21-18-11-17(29(26,27)24-16-6-2-1-3-7-16)8-9-19(18)28-14-20(25)23-13-15-5-4-10-22-12-15/h4-5,8-12,16,24H,1-3,6-7,13-14H2,(H,23,25)
InChIKeyAAZYAZXEJBKHDN-UHFFFAOYSA-N
MW437.95 g/mol
LogP3.04
Rot. Bonds8

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

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1093379) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1093379
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1
InChIInChI=1S/C20H24ClN3O4S/c21-18-11-17(29(26,27)24-16-6-2-1-3-7-16)8-9-19(18)28-14-20(25)23-13-15-5-4-10-22-12-15/h4-5,8-12,16,24H,1-3,6-7,13-14H2,(H,23,25)
InChIKeyAAZYAZXEJBKHDN-UHFFFAOYSA-N
XLogP3.04
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide (CID 1093379) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1cccnc1.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AAZYAZXEJBKHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c21-18-11-17(29(26,27)24-16-6-2-1-3-7-16)8-9-19(18)28-14-20(25)23-13-15-5-4-10-22-12-15/h4-5,8-12,16,24H,1-3,6-7,13-14H2,(H,23,25).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 437.95 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1093379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).