4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide

C14H21N3O3S — CID 109058420

IUPAC4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H21N3O3S/c1-4-9-15-14(18)12-5-7-13(8-6-12)21(19,20)16-10-11-17(2)3/h4-8,16H,1,9-11H2,2-3H3,(H,15,18)
InChIKeyLOQYFFUDJJWHJL-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.44
Rot. Bonds8

About 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide

4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 109058420) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
PubChem CID109058420
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H21N3O3S/c1-4-9-15-14(18)12-5-7-13(8-6-12)21(19,20)16-10-11-17(2)3/h4-8,16H,1,9-11H2,2-3H3,(H,15,18)
InChIKeyLOQYFFUDJJWHJL-UHFFFAOYSA-N
XLogP0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylamino)ethylsulfamoyl]-N-pentylbenzamide
CID 109060155
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[2-(dimethylamino)ethylsulfamoyl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 109060145
N-[(2-chlorophenyl)methyl]-4-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109060135
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N,N-dimethyl-4-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]benzamide
CID 34545917
4-butanoyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 82164625
4-[2-(dimethylamino)ethylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 109060131

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide (CID 109058420) is 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(S(=O)(=O)NCCN(C)C)cc1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is LOQYFFUDJJWHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-9-15-14(18)12-5-7-13(8-6-12)21(19,20)16-10-11-17(2)3/h4-8,16H,1,9-11H2,2-3H3,(H,15,18).
What are the key properties of 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide?
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 311.41 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 109058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).