N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H26N2O4S — CID 71792706

IUPACN-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC#CCN2CCOCC2)cc1
InChIInChI=1S/C19H26N2O4S/c1-16(2)26(23,24)18-7-5-17(6-8-18)15-19(22)20-9-3-4-10-21-11-13-25-14-12-21/h5-8,16H,9-15H2,1-2H3,(H,20,22)
InChIKeyYFKAIBLPUBAJDY-UHFFFAOYSA-N
MW378.49 g/mol
LogP0.86
Rot. Bonds6

About N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71792706) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71792706
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCC#CCN2CCOCC2)cc1
InChIInChI=1S/C19H26N2O4S/c1-16(2)26(23,24)18-7-5-17(6-8-18)15-19(22)20-9-3-4-10-21-11-13-25-14-12-21/h5-8,16H,9-15H2,1-2H3,(H,20,22)
InChIKeyYFKAIBLPUBAJDY-UHFFFAOYSA-N
XLogP0.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71792706) is N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCC#CCN2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is YFKAIBLPUBAJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-16(2)26(23,24)18-7-5-17(6-8-18)15-19(22)20-9-3-4-10-21-11-13-25-14-12-21/h5-8,16H,9-15H2,1-2H3,(H,20,22).
What are the key properties of N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 378.49 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbut-2-ynyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71792706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).