4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide

C19H20N2O4S — CID 8621593

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-12-20-19(23)17-6-4-15(5-7-17)13-21-26(24,25)18-10-8-16(9-11-18)14(2)22/h3-11,21H,1,12-13H2,2H3,(H,20,23)
InChIKeyMZNOSHNQVRYVBW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.28
Rot. Bonds8

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide (PubChem CID 8621593) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
PubChem CID8621593
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-12-20-19(23)17-6-4-15(5-7-17)13-21-26(24,25)18-10-8-16(9-11-18)14(2)22/h3-11,21H,1,12-13H2,2H3,(H,20,23)
InChIKeyMZNOSHNQVRYVBW-UHFFFAOYSA-N
XLogP2.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(4-bromophenyl)benzamide
CID 29371083
propan-2-yl 2-[[4-[[(4-acetylphenyl)sulfonylamino]methyl]benzoyl]amino]acetate
CID 56543920
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 86951535
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide (CID 8621593) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide?
The InChIKey is MZNOSHNQVRYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-12-20-19(23)17-6-4-15(5-7-17)13-21-26(24,25)18-10-8-16(9-11-18)14(2)22/h3-11,21H,1,12-13H2,2H3,(H,20,23).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide has a molecular weight of 372.45 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 8621593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).