2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C19H29N3O6S — CID 6495098

IUPAC2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O6S/c1-16-14-17(29(24,25)22-8-12-27-13-9-22)2-3-18(16)28-15-19(23)20-4-5-21-6-10-26-11-7-21/h2-3,14H,4-13,15H2,1H3,(H,20,23)
InChIKeyJNHCMSQQSWHROO-UHFFFAOYSA-N
MW427.52 g/mol
LogP-0.16
Rot. Bonds8

About 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6495098) has the molecular formula C19H29N3O6S and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6495098
Molecular FormulaC19H29N3O6S
Molecular Weight427.52 g/mol
Exact Mass427.18
IUPAC Name2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCN1CCOCC1
InChIInChI=1S/C19H29N3O6S/c1-16-14-17(29(24,25)22-8-12-27-13-9-22)2-3-18(16)28-15-19(23)20-4-5-21-6-10-26-11-7-21/h2-3,14H,4-13,15H2,1H3,(H,20,23)
InChIKeyJNHCMSQQSWHROO-UHFFFAOYSA-N
XLogP-0.16
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 6495098) is 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is JNHCMSQQSWHROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6S/c1-16-14-17(29(24,25)22-8-12-27-13-9-22)2-3-18(16)28-15-19(23)20-4-5-21-6-10-26-11-7-21/h2-3,14H,4-13,15H2,1H3,(H,20,23).
What are the key properties of 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 427.52 g/mol, XLogP of -0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6495098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).