(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide

C13H16N2O4S — CID 129402685

IUPAC(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide
SMILESC=CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4S/c1-3-9-14-13(17)15-12(16)10(2)20(18,19)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyGHAAJXLEPMPLAM-SNVBAGLBSA-N
MW296.35 g/mol
LogP0.86
Rot. Bonds5

About (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide

(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide (PubChem CID 129402685) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide
PubChem CID129402685
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide
SMILESC=CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H16N2O4S/c1-3-9-14-13(17)15-12(16)10(2)20(18,19)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H2,14,15,16,17)/t10-/m1/s1
InChIKeyGHAAJXLEPMPLAM-SNVBAGLBSA-N
XLogP0.86
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide 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

2-(benzenesulfonyl)-N-(2-methoxyethyl)propanamide
CID 47119405
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 9493919
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
2-(benzenesulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112779715
1-(2-propan-2-yloxyphenyl)-3-prop-2-enylurea
CID 47221939
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
N'-[(2R)-2-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]ethyl]-N-prop-2-enyloxamide
CID 9159524
2-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 86918589
2-[(2-bromophenyl)methyl-methylamino]-N-(prop-2-enylcarbamoyl)acetamide
CID 17405753
4-bromo-3-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfonylbenzoic acid
CID 43323864

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide (CID 129402685) is (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide is C=CCNC(=O)NC(=O)[C@@H](C)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide?
The InChIKey is GHAAJXLEPMPLAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-9-14-13(17)15-12(16)10(2)20(18,19)11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H2,14,15,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide?
(2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide has a molecular weight of 296.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzenesulfonyl)-N-(prop-2-enylcarbamoyl)propanamide is sourced from PubChem (CID 129402685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).