2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide

C14H19N3O3S — CID 739319

IUPAC2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-9-17(10-4-2)11-14(18)16-12-5-7-13(8-6-12)21(15,19)20/h3-8H,1-2,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyQQRDSFFWEXWVPY-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.95
Rot. Bonds8

About 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide

2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 739319) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide
PubChem CID739319
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide
SMILESC=CCN(CC=C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-3-9-17(10-4-2)11-14(18)16-12-5-7-13(8-6-12)21(15,19)20/h3-8H,1-2,9-11H2,(H,16,18)(H2,15,19,20)
InChIKeyQQRDSFFWEXWVPY-UHFFFAOYSA-N
XLogP0.95
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide (CID 739319) is 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide is C=CCN(CC=C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is QQRDSFFWEXWVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-9-17(10-4-2)11-14(18)16-12-5-7-13(8-6-12)21(15,19)20/h3-8H,1-2,9-11H2,(H,16,18)(H2,15,19,20).
What are the key properties of 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide?
2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 309.39 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 739319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).