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

C19H27ClN2O5S — CID 2964000

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C19H27ClN2O5S/c20-17-11-16(28(24,25)22-14-5-2-1-3-6-14)8-9-18(17)27-13-19(23)21-12-15-7-4-10-26-15/h8-9,11,14-15,22H,1-7,10,12-13H2,(H,21,23)
InChIKeyRNCYDAXJMHNPDJ-UHFFFAOYSA-N
MW430.95 g/mol
LogP2.62
Rot. Bonds8

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

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2964000) has the molecular formula C19H27ClN2O5S and a molecular weight of 430.95 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2964000
Molecular FormulaC19H27ClN2O5S
Molecular Weight430.95 g/mol
Exact Mass430.13
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCC1CCCO1
InChIInChI=1S/C19H27ClN2O5S/c20-17-11-16(28(24,25)22-14-5-2-1-3-6-14)8-9-18(17)27-13-19(23)21-12-15-7-4-10-26-15/h8-9,11,14-15,22H,1-7,10,12-13H2,(H,21,23)
InChIKeyRNCYDAXJMHNPDJ-UHFFFAOYSA-N
XLogP2.62
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 52.62
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-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 2964000) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCC1CCCO1.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is RNCYDAXJMHNPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O5S/c20-17-11-16(28(24,25)22-14-5-2-1-3-6-14)8-9-18(17)27-13-19(23)21-12-15-7-4-10-26-15/h8-9,11,14-15,22H,1-7,10,12-13H2,(H,21,23).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 430.95 g/mol, XLogP of 2.62, 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2964000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).