N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide

C15H20N2O4S — CID 90577537

IUPACN-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC#CCNS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H20N2O4S/c1-12(2)22(19,20)16-9-4-5-10-21-15-8-6-7-14(11-15)17-13(3)18/h6-8,11-12,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyHMTBILQWGWGZFP-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.36
Rot. Bonds6

About N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide

N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide (PubChem CID 90577537) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
PubChem CID90577537
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC#CCNS(=O)(=O)C(C)C)c1
InChIInChI=1S/C15H20N2O4S/c1-12(2)22(19,20)16-9-4-5-10-21-15-8-6-7-14(11-15)17-13(3)18/h6-8,11-12,16H,9-10H2,1-3H3,(H,17,18)
InChIKeyHMTBILQWGWGZFP-UHFFFAOYSA-N
XLogP1.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-[[(E)-2-phenylethenyl]sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577523
N-[3-[4-[(2,4-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577504
N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577505
N-[3-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577516
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[3-[4-[2-(4-methoxyphenyl)ethylcarbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577466
N-[4-[4-[3-(trifluoromethyl)phenoxy]but-2-ynylsulfamoyl]phenyl]acetamide
CID 71803054

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide?
The IUPAC name of N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide (CID 90577537) is N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)C(C)C)c1.
What is the InChIKey of N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide?
The InChIKey is HMTBILQWGWGZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-12(2)22(19,20)16-9-4-5-10-21-15-8-6-7-14(11-15)17-13(3)18/h6-8,11-12,16H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide?
N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(propan-2-ylsulfonylamino)but-2-ynoxy]phenyl]acetamide is sourced from PubChem (CID 90577537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).