N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide

C15H21N3O3S — CID 119617561

IUPACN-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H21N3O3S/c1-2-9-17-22(20,21)13-7-5-12(6-8-13)15(19)18-14(10-16)11-3-4-11/h2,5-8,11,14,17H,1,3-4,9-10,16H2,(H,18,19)
InChIKeyVZLFMOXSFGHZAJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.62
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 119617561) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID119617561
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H21N3O3S/c1-2-9-17-22(20,21)13-7-5-12(6-8-13)15(19)18-14(10-16)11-3-4-11/h2,5-8,11,14,17H,1,3-4,9-10,16H2,(H,18,19)
InChIKeyVZLFMOXSFGHZAJ-UHFFFAOYSA-N
XLogP0.62
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119615381
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 19258102
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
N-(2-amino-1-cyclopropylethyl)-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119613306
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
CID 119614470
N-(2-amino-1-cyclopropylethyl)-4-[ethyl(propyl)amino]benzamide
CID 119613110

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 119617561) is N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is VZLFMOXSFGHZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-2-9-17-22(20,21)13-7-5-12(6-8-13)15(19)18-14(10-16)11-3-4-11/h2,5-8,11,14,17H,1,3-4,9-10,16H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 323.42 g/mol, XLogP of 0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 119617561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).