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

C20H24N2O3S — CID 31542031

IUPACN-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(CC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-13-21-26(24,25)19-8-6-7-18(14-19)20(23)22(3)15-17-11-9-16(5-2)10-12-17/h4,6-12,14,21H,1,5,13,15H2,2-3H3
InChIKeyXVIFDGLBVWVSCS-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.99
Rot. Bonds8

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

N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 31542031) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID31542031
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(CC)cc2)c1
InChIInChI=1S/C20H24N2O3S/c1-4-13-21-26(24,25)19-8-6-7-18(14-19)20(23)22(3)15-17-11-9-16(5-2)10-12-17/h4,6-12,14,21H,1,5,13,15H2,2-3H3
InChIKeyXVIFDGLBVWVSCS-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 8966476
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 24545003
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 31661125
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 39735471
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 119652458
[2-(4-ethylphenyl)-2-oxoethyl] 3-(prop-2-enylsulfamoyl)benzoate
CID 7973749
N-methyl-N-phenyl-3-(prop-2-enylsulfamoyl)benzamide
CID 46421235
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(3-amino-4-methylpentyl)-N-methyl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119657347
3-[ethyl-[3-(prop-2-enylsulfamoyl)benzoyl]amino]propanoic acid
CID 119191062

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide (CID 31542031) is N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(CC)cc2)c1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is XVIFDGLBVWVSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-13-21-26(24,25)19-8-6-7-18(14-19)20(23)22(3)15-17-11-9-16(5-2)10-12-17/h4,6-12,14,21H,1,5,13,15H2,2-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide?
N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 31542031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).