2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide

C14H20N2O3S — CID 15118143

IUPAC2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)Cc1cccc(CC)c1
InChIInChI=1S/C14H20N2O3S/c1-3-8-16(10-14(15)17)20(18,19)11-13-7-5-6-12(4-2)9-13/h3,5-7,9H,1,4,8,10-11H2,2H3,(H2,15,17)
InChIKeyOPLOVMRAQUMDGW-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.05
Rot. Bonds8

About 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide

2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide (PubChem CID 15118143) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide.

Molecular Properties

Compound Name2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
PubChem CID15118143
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide
SMILESC=CCN(CC(N)=O)S(=O)(=O)Cc1cccc(CC)c1
InChIInChI=1S/C14H20N2O3S/c1-3-8-16(10-14(15)17)20(18,19)11-13-7-5-6-12(4-2)9-13/h3,5-7,9H,1,4,8,10-11H2,2H3,(H2,15,17)
InChIKeyOPLOVMRAQUMDGW-UHFFFAOYSA-N
XLogP1.05
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N~1~-butyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2236744
2-[Methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 893790
N~1~-ethyl-N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 2219097
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)-N~1~-propylglycinamide
CID 2222479
N~2~-(methylsulfonyl)-N~2~-(2-phenylethyl)glycinamide
CID 963790
N,N-dimethyl-2-(N-methyl2-phenylethenesulfonamido)acetamide
CID 16382490
2-(4-benzylsulfonylpiperazin-1-yl)-N-hydroxyacetamide
CID 54581108
2-[Methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925201
2-{Butyl[(4-methylphenyl)sulfonyl]amino}acetamide
CID 4548658
(N-methyl-3-trifluoromethylbenzylsulfonamido)-acetamide
CID 15118086
2-[(4-Methylphenyl)sulfonyl-propylamino]acetamide
CID 25484133
2-[Benzyl(cyclopentylmethylsulfonyl)amino]acetamide
CID 71968566

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide?
The IUPAC name of 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide (CID 15118143) is 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide.
What is the SMILES notation for 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide?
The canonical SMILES for 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide is C=CCN(CC(N)=O)S(=O)(=O)Cc1cccc(CC)c1.
What is the InChIKey of 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide?
The InChIKey is OPLOVMRAQUMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-8-16(10-14(15)17)20(18,19)11-13-7-5-6-12(4-2)9-13/h3,5-7,9H,1,4,8,10-11H2,2H3,(H2,15,17).
What are the key properties of 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide?
2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide has a molecular weight of 296.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylphenyl)methylsulfonyl-prop-2-enylamino]acetamide is sourced from PubChem (CID 15118143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).