N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

C18H19FN2O3S — CID 25317177

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-3-10-21-25(23,24)16-8-6-15(7-9-16)18(22)20-12-14-5-4-13(2)17(19)11-14/h3-9,11,21H,1,10,12H2,2H3,(H,20,22)
InChIKeyLDTAQINHFOWKJW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.53
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide

N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 25317177) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID25317177
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-3-10-21-25(23,24)16-8-6-15(7-9-16)18(22)20-12-14-5-4-13(2)17(19)11-14/h3-9,11,21H,1,10,12H2,2H3,(H,20,22)
InChIKeyLDTAQINHFOWKJW-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55713686
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-[(3-fluoro-4-methylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 112722669
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 60620575
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27259975

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 25317177) is N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is LDTAQINHFOWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-3-10-21-25(23,24)16-8-6-15(7-9-16)18(22)20-12-14-5-4-13(2)17(19)11-14/h3-9,11,21H,1,10,12H2,2H3,(H,20,22).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 25317177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).