N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide

C14H18N2O3S — CID 106898784

IUPACN-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-6-12(5-2)16-20(18,19)14-9-7-13(8-10-14)15-11(3)17/h2,7-10,12,16H,4,6H2,1,3H3,(H,15,17)
InChIKeyJXEDZUPFCDKGPA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds6

About N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide

N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 106898784) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
PubChem CID106898784
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide
SMILESC#CC(CCC)NS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-4-6-12(5-2)16-20(18,19)14-9-7-13(8-10-14)15-11(3)17/h2,7-10,12,16H,4,6H2,1,3H3,(H,15,17)
InChIKeyJXEDZUPFCDKGPA-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(hex-1-yn-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 106231738
3-acetyl-N-hex-1-yn-3-ylbenzenesulfonamide
CID 106898891
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
methyl 5-(hex-1-yn-3-ylsulfamoyl)-2-hydroxybenzoate
CID 106225511
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
3-amino-N-hex-1-yn-3-yl-4-methylbenzenesulfonamide
CID 114160419
N-[4-[[(2R)-1-hydroxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 39086802
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylpentanoate
CID 7448572
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223

Frequently Asked Questions

What is the IUPAC name of N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide (CID 106898784) is N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide is C#CC(CCC)NS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is JXEDZUPFCDKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-4-6-12(5-2)16-20(18,19)14-9-7-13(8-10-14)15-11(3)17/h2,7-10,12,16H,4,6H2,1,3H3,(H,15,17).
What are the key properties of N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide?
N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hex-1-yn-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 106898784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).