2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

C16H20N2O4S — CID 39076171

IUPAC2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESC=CCN(CC=C)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-3-10-18(11-4-2)16(20)13-23(21,22)12-15(19)17-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,17,19)
InChIKeyWUMQBRZOJROYBX-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.24
Rot. Bonds9

About 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (PubChem CID 39076171) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
PubChem CID39076171
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESC=CCN(CC=C)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C16H20N2O4S/c1-3-10-18(11-4-2)16(20)13-23(21,22)12-15(19)17-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,17,19)
InChIKeyWUMQBRZOJROYBX-UHFFFAOYSA-N
XLogP1.24
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076137
1-(2-hydroxyethyl)-3-phenyl-1-prop-2-enylurea
CID 111423629
1-benzyl-3-phenyl-1-prop-2-enylurea
CID 34697540
2-[bis(prop-2-enyl)amino]-N-phenyl-2-sulfanylideneacetamide
CID 535398
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
CID 24705214
2-[2-(diethylamino)-2-oxoethyl]sulfonyl-N-(4-fluorophenyl)acetamide
CID 39076319
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-prop-2-enylacetamide
CID 39083697
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 1180425
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
4-[(2-anilino-2-oxoethyl)sulfonylmethyl]-N,N-dimethylbenzamide
CID 39080347

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (CID 39076171) is 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is C=CCN(CC=C)C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The InChIKey is WUMQBRZOJROYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-3-10-18(11-4-2)16(20)13-23(21,22)12-15(19)17-14-8-6-5-7-9-14/h3-9H,1-2,10-13H2,(H,17,19).
What are the key properties of 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide has a molecular weight of 336.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 39076171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).