2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide

C15H21ClN2O5S — CID 2949860

IUPAC2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O
InChIInChI=1S/C15H21ClN2O5S/c1-9-4-12(16)14(5-13(9)22-8-15(17)19)24(20,21)18-6-10(2)23-11(3)7-18/h4-5,10-11H,6-8H2,1-3H3,(H2,17,19)
InChIKeyMQDIBTXJCGQARO-UHFFFAOYSA-N
MW376.86 g/mol
LogP1.31
Rot. Bonds5

About 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide

2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide (PubChem CID 2949860) has the molecular formula C15H21ClN2O5S and a molecular weight of 376.86 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide
PubChem CID2949860
Molecular FormulaC15H21ClN2O5S
Molecular Weight376.86 g/mol
Exact Mass376.09
IUPAC Name2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide
SMILESCc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O
InChIInChI=1S/C15H21ClN2O5S/c1-9-4-12(16)14(5-13(9)22-8-15(17)19)24(20,21)18-6-10(2)23-11(3)7-18/h4-5,10-11H,6-8H2,1-3H3,(H2,17,19)
InChIKeyMQDIBTXJCGQARO-UHFFFAOYSA-N
XLogP1.31
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide?
The IUPAC name of 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide (CID 2949860) is 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide is Cc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O.
What is the InChIKey of 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide?
The InChIKey is MQDIBTXJCGQARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O5S/c1-9-4-12(16)14(5-13(9)22-8-15(17)19)24(20,21)18-6-10(2)23-11(3)7-18/h4-5,10-11H,6-8H2,1-3H3,(H2,17,19).
What are the key properties of 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide?
2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide has a molecular weight of 376.86 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-methylphenoxy]acetamide is sourced from PubChem (CID 2949860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).