N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide

C17H18N2O4S — CID 19258037

IUPACN-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-18-24(21,22)16-10-4-13(5-11-16)17(20)19-14-6-8-15(23-2)9-7-14/h3-11,18H,1,12H2,2H3,(H,19,20)
InChIKeyUKTFFQKQPQKOMT-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.41
Rot. Bonds7

About N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 19258037) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID19258037
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C17H18N2O4S/c1-3-12-18-24(21,22)16-10-4-13(5-11-16)17(20)19-14-6-8-15(23-2)9-7-14/h3-11,18H,1,12H2,2H3,(H,19,20)
InChIKeyUKTFFQKQPQKOMT-UHFFFAOYSA-N
XLogP2.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.41
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-(ethylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 9411925
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
3-iodo-4-methoxy-N-[4-(prop-2-enylsulfamoyl)phenyl]benzamide
CID 4929820
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-(2-methoxyethoxy)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353818
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
methyl 3-oxo-3-[4-(prop-2-enylsulfamoyl)anilino]propanoate
CID 28637974
N-(4-piperidin-1-ylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 17473471
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 19258037) is N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is UKTFFQKQPQKOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-12-18-24(21,22)16-10-4-13(5-11-16)17(20)19-14-6-8-15(23-2)9-7-14/h3-11,18H,1,12H2,2H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 346.41 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 19258037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).