N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide

C20H24N2O3S — CID 109058553

IUPACN-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19-15(5-2)8-7-9-16(19)6-3/h4,7-13,21H,1,5-6,14H2,2-3H3,(H,22,23)
InChIKeyZCRILWKWZPHOLA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.53
Rot. Bonds8

About N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 109058553) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID109058553
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19-15(5-2)8-7-9-16(19)6-3/h4,7-13,21H,1,5-6,14H2,2-3H3,(H,22,23)
InChIKeyZCRILWKWZPHOLA-UHFFFAOYSA-N
XLogP3.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.53
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

4-(tert-butylsulfamoyl)-N-(2,6-diethylphenyl)benzamide
CID 51310078
4-[(2-ethyl-6-methylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109058483
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2-chlorophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258058
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
N-(2-methyl-3-nitrophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 26796676
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
2-methyl-N-[4-(prop-2-enylsulfamoyl)phenyl]propanamide
CID 6467571
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 109058553) is N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ZCRILWKWZPHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-14-21-26(24,25)18-12-10-17(11-13-18)20(23)22-19-15(5-2)8-7-9-16(19)6-3/h4,7-13,21H,1,5-6,14H2,2-3H3,(H,22,23).
What are the key properties of N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 109058553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).