N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide

C14H18N2O3S — CID 46541925

IUPACN-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C14H18N2O3S/c1-2-8-16-20(18,19)13-5-3-4-12(9-13)14(17)15-10-11-6-7-11/h2-5,9,11,16H,1,6-8,10H2,(H,15,17)
InChIKeyXAXUATZQEFRLJR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.29
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide

N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 46541925) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID46541925
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C14H18N2O3S/c1-2-8-16-20(18,19)13-5-3-4-12(9-13)14(17)15-10-11-6-7-11/h2-5,9,11,16H,1,6-8,10H2,(H,15,17)
InChIKeyXAXUATZQEFRLJR-UHFFFAOYSA-N
XLogP1.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-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

methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
3-(cyclopropylmethylsulfamoyl)-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508576
N,N-diethyl-3-(prop-2-enylsulfamoyl)benzamide
CID 51161787
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
N-[2-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119600579
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526
N-[4-(carbamoylamino)phenyl]-3-(cyclopropylmethylsulfamoyl)benzamide
CID 37027882

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide (CID 46541925) is N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is XAXUATZQEFRLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-2-8-16-20(18,19)13-5-3-4-12(9-13)14(17)15-10-11-6-7-11/h2-5,9,11,16H,1,6-8,10H2,(H,15,17).
What are the key properties of N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide?
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 294.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 46541925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).