N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide

C13H18N2O3S — CID 115628736

IUPACN-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-10-14-19(17,18)13-8-6-12(7-9-13)15-11(2)16/h3-4,6-9,14H,5,10H2,1-2H3,(H,15,16)/b4-3+
InChIKeyOLWZJXXXZJAORA-ONEGZZNKSA-N
MW282.37 g/mol
LogP1.89
Rot. Bonds6

About N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide

N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide (PubChem CID 115628736) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
PubChem CID115628736
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
SMILESC/C=C/CCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-4-5-10-14-19(17,18)13-8-6-12(7-9-13)15-11(2)16/h3-4,6-9,14H,5,10H2,1-2H3,(H,15,16)/b4-3+
InChIKeyOLWZJXXXZJAORA-ONEGZZNKSA-N
XLogP1.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
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CID 2134216
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
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N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
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N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
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N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
2-[2-[(4-acetamidophenyl)sulfonylamino]ethoxy]acetic acid
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N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
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CID 102513773

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide (CID 115628736) is N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide is C/C=C/CCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide?
The InChIKey is OLWZJXXXZJAORA-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-4-5-10-14-19(17,18)13-8-6-12(7-9-13)15-11(2)16/h3-4,6-9,14H,5,10H2,1-2H3,(H,15,16)/b4-3+.
What are the key properties of N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 115628736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).