N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C18H26N2O6S — CID 55578275

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCC(=O)C(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C18H26N2O6S/c1-13(2)18(14(3)21)19-17(22)12-26-15-4-6-16(7-5-15)27(23,24)20-8-10-25-11-9-20/h4-7,13,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyRCFQSFOKWJMVFC-UHFFFAOYSA-N
MW398.48 g/mol
LogP0.82
Rot. Bonds8

About N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 55578275) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID55578275
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCC(=O)C(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C18H26N2O6S/c1-13(2)18(14(3)21)19-17(22)12-26-15-4-6-16(7-5-15)27(23,24)20-8-10-25-11-9-20/h4-7,13,18H,8-12H2,1-3H3,(H,19,22)
InChIKeyRCFQSFOKWJMVFC-UHFFFAOYSA-N
XLogP0.82
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7639683
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 43873383
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 55397390
2-(4-morpholin-4-ylsulfonylphenoxy)-N-propylacetamide
CID 6491400
N-(2-hydroxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491401
N-(2-methoxyethyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 2320120
2-(4-morpholin-4-ylsulfonylphenoxy)-N-phenylacetamide
CID 2230342
N-(2-methyl-6-propan-2-ylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 27088408
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 3445466
N-butan-2-yl-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 4695524
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 55578275) is N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is CC(=O)C(NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is RCFQSFOKWJMVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-13(2)18(14(3)21)19-17(22)12-26-15-4-6-16(7-5-15)27(23,24)20-8-10-25-11-9-20/h4-7,13,18H,8-12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 398.48 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 55578275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).