N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

C16H24N2O5S — CID 2999657

IUPACN-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-3-13(2)17-16(19)12-23-14-4-6-15(7-5-14)24(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyRMXLGUZSFUHRAL-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.00
Rot. Bonds7

About N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide

N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (PubChem CID 2999657) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
PubChem CID2999657
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC NameN-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O5S/c1-3-13(2)17-16(19)12-23-14-4-6-15(7-5-14)24(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyRMXLGUZSFUHRAL-UHFFFAOYSA-N
XLogP1.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide (CID 2999657) is N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is CCC(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
The InChIKey is RMXLGUZSFUHRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-3-13(2)17-16(19)12-23-14-4-6-15(7-5-14)24(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide?
N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide has a molecular weight of 356.44 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 2999657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).