N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide

C14H20N2O3S — CID 47127688

IUPACN-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3S/c1-5-9-15-20(18,19)12-8-6-7-11(10-12)13(17)16-14(2,3)4/h5-8,10,15H,1,9H2,2-4H3,(H,16,17)
InChIKeyZRXBHQDJIUGANT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.68
Rot. Bonds5

About N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide

N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 47127688) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID47127688
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1
InChIInChI=1S/C14H20N2O3S/c1-5-9-15-20(18,19)12-8-6-7-11(10-12)13(17)16-14(2,3)4/h5-8,10,15H,1,9H2,2-4H3,(H,16,17)
InChIKeyZRXBHQDJIUGANT-UHFFFAOYSA-N
XLogP1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119568702
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
N-(3-methylsulfonylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9071953
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
N-(2-ethylphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 31263349
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
N-tert-butyl-3-(tribromomethylsulfonyl)benzamide
CID 164778887
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
CID 109064999
N-[4-(2-methoxyethoxy)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 46442034

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide (CID 47127688) is N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ZRXBHQDJIUGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-5-9-15-20(18,19)12-8-6-7-11(10-12)13(17)16-14(2,3)4/h5-8,10,15H,1,9H2,2-4H3,(H,16,17).
What are the key properties of N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide?
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 47127688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).