2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide

C14H19ClN2O5S — CID 2950528

IUPAC2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O
InChIInChI=1S/C14H19ClN2O5S/c1-9-5-11(15)13(6-12(9)22-8-14(16)18)23(19,20)17-7-10-3-2-4-21-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyYILKWNDXXBARJQ-UHFFFAOYSA-N
MW362.84 g/mol
LogP0.97
Rot. Bonds7

About 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide

2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide (PubChem CID 2950528) has the molecular formula C14H19ClN2O5S and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
PubChem CID2950528
Molecular FormulaC14H19ClN2O5S
Molecular Weight362.84 g/mol
Exact Mass362.07
IUPAC Name2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O
InChIInChI=1S/C14H19ClN2O5S/c1-9-5-11(15)13(6-12(9)22-8-14(16)18)23(19,20)17-7-10-3-2-4-21-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,16,18)
InChIKeyYILKWNDXXBARJQ-UHFFFAOYSA-N
XLogP0.97
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide (CID 2950528) is 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The InChIKey is YILKWNDXXBARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O5S/c1-9-5-11(15)13(6-12(9)22-8-14(16)18)23(19,20)17-7-10-3-2-4-21-10/h5-6,10,17H,2-4,7-8H2,1H3,(H2,16,18).
What are the key properties of 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide has a molecular weight of 362.84 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-methyl-5-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 2950528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).