N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide

C18H20N2O3S — CID 7919284

IUPACN-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-13-20(14-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(2)21/h3-12H,1,13-14H2,2H3,(H,19,21)
InChIKeyOYOVEGKQNUHWKC-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds7

About N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide

N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide (PubChem CID 7919284) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
PubChem CID7919284
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H20N2O3S/c1-3-13-20(14-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(2)21/h3-12H,1,13-14H2,2H3,(H,19,21)
InChIKeyOYOVEGKQNUHWKC-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,6-dichlorophenyl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 7687450
methyl 2-[(4-acetamidophenyl)sulfonyl-benzylamino]acetate
CID 1119907
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
N-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylsulfamoyl]phenyl]acetamide
CID 9302371
N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
N-[4-[[benzenesulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]acetamide
CID 141361158
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
4-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 4778328
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136742007
ethyl 3-[4-[bis(prop-2-enyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097504
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
4-[[benzenesulfonyl(prop-2-enyl)amino]methyl]-N-[(2R)-butan-2-yl]benzamide
CID 125043031

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide (CID 7919284) is N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide is C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide?
The InChIKey is OYOVEGKQNUHWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-3-13-20(14-16-7-5-4-6-8-16)24(22,23)18-11-9-17(10-12-18)19-15(2)21/h3-12H,1,13-14H2,2H3,(H,19,21).
What are the key properties of N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide?
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 7919284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).