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

C18H20N2O4S — CID 2557674

IUPACN-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-20-25(22,23)17-10-6-15(7-11-17)18(21)19-13-14-4-8-16(24-2)9-5-14/h3-11,20H,1,12-13H2,2H3,(H,19,21)
InChIKeyRXYUKTKEZMPBDS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.09
Rot. Bonds8

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

N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 2557674) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID2557674
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-20-25(22,23)17-10-6-15(7-11-17)18(21)19-13-14-4-8-16(24-2)9-5-14/h3-11,20H,1,12-13H2,2H3,(H,19,21)
InChIKeyRXYUKTKEZMPBDS-UHFFFAOYSA-N
XLogP2.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.09
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

N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-[(4-fluorophenyl)methyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 3311699
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55713686
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide (CID 2557674) is N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is RXYUKTKEZMPBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-12-20-25(22,23)17-10-6-15(7-11-17)18(21)19-13-14-4-8-16(24-2)9-5-14/h3-11,20H,1,12-13H2,2H3,(H,19,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide?
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 2557674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).