N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide

C12H16N2O3S — CID 170489078

IUPACN-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)14-9-3-2-4-11-5-7-12(8-6-11)18(13,16)17/h2,4-8H,3,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyJRKULGICHUPGNU-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.87
Rot. Bonds5

About N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide

N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide (PubChem CID 170489078) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
PubChem CID170489078
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)14-9-3-2-4-11-5-7-12(8-6-11)18(13,16)17/h2,4-8H,3,9H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyJRKULGICHUPGNU-UHFFFAOYSA-N
XLogP0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-amino-4-hydroxyphenyl)but-3-enyl]acetamide
CID 170488438
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
N-[4-[4-(hydrazinecarbonyl)phenyl]but-3-enyl]acetamide
CID 170489043
N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
N-[4-(3-amino-4-methylphenyl)but-3-enyl]acetamide
CID 170488388
N-[4-(4-amino-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170488732
N-[4-[4-bromo-3-(hydroxymethyl)phenyl]but-3-enyl]acetamide
CID 170489769
N-[4-(4-methyl-3-nitrophenyl)but-3-enyl]acetamide
CID 170489127
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[4-(7-hydroxynaphthalen-2-yl)but-3-enyl]acetamide
CID 170489391

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide (CID 170489078) is N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide?
The InChIKey is JRKULGICHUPGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(15)14-9-3-2-4-11-5-7-12(8-6-11)18(13,16)17/h2,4-8H,3,9H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide?
N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide has a molecular weight of 268.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-sulfamoylphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170489078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).