N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide

C14H18N2O3S — CID 103756998

IUPACN-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-6-11-15-20(18,19)14-9-7-13(8-10-14)16-12(2)17/h1,7-10,15H,4-6,11H2,2H3,(H,16,17)
InChIKeySWBXSXGFJYYWKI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.73
Rot. Bonds7

About N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide

N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide (PubChem CID 103756998) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
PubChem CID103756998
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
SMILESC#CCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H18N2O3S/c1-3-4-5-6-11-15-20(18,19)14-9-7-13(8-10-14)16-12(2)17/h1,7-10,15H,4-6,11H2,2H3,(H,16,17)
InChIKeySWBXSXGFJYYWKI-UHFFFAOYSA-N
XLogP1.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
4-chloro-N-hex-5-ynylbenzenesulfonamide
CID 103756879
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736

Frequently Asked Questions

What is the IUPAC name of N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide (CID 103756998) is N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide is C#CCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide?
The InChIKey is SWBXSXGFJYYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-3-4-5-6-11-15-20(18,19)14-9-7-13(8-10-14)16-12(2)17/h1,7-10,15H,4-6,11H2,2H3,(H,16,17).
What are the key properties of N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide?
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 103756998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).