N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

C19H21N3O4S — CID 18229481

IUPACN-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-12-21-27(25,26)18-10-6-16(7-11-18)19(24)20-13-15-4-8-17(9-5-15)22-14(2)23/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23)
InChIKeyAEZOCSQUXCAFGF-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.04
Rot. Bonds8

About N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 18229481) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID18229481
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H21N3O4S/c1-3-12-21-27(25,26)18-10-6-16(7-11-18)19(24)20-13-15-4-8-17(9-5-15)22-14(2)23/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23)
InChIKeyAEZOCSQUXCAFGF-UHFFFAOYSA-N
XLogP2.04
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2,4-dimethylphenyl)methyl]benzamide
CID 55595158
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[[(4-acetamidophenyl)sulfonylamino]methyl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 26775887

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 18229481) is N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is AEZOCSQUXCAFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-3-12-21-27(25,26)18-10-6-16(7-11-18)19(24)20-13-15-4-8-17(9-5-15)22-14(2)23/h3-11,21H,1,12-13H2,2H3,(H,20,24)(H,22,23).
What are the key properties of N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 387.46 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 18229481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).