N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide

C13H18N2O3S — CID 79285005

IUPACN-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-9-14-10-13(16)15-11-5-7-12(8-6-11)19(17,18)4-2/h3,5-8,14H,1,4,9-10H2,2H3,(H,15,16)
InChIKeyMHQVGHQAMBPITK-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.19
Rot. Bonds7

About N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide

N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide (PubChem CID 79285005) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
PubChem CID79285005
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)Nc1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H18N2O3S/c1-3-9-14-10-13(16)15-11-5-7-12(8-6-11)19(17,18)4-2/h3,5-8,14H,1,4,9-10H2,2H3,(H,15,16)
InChIKeyMHQVGHQAMBPITK-UHFFFAOYSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
CID 78923640
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
N-(4-acetamido-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79285856
4-amino-N-(4-ethylsulfonylphenyl)butanamide
CID 43704501
4-(4-ethylsulfonylanilino)-4-oxobutanoic acid
CID 54867875
N-(4-ethylsulfonylphenyl)-4-(methylamino)butanamide
CID 60842770
N-[4-(2-methoxyethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818436
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285468
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-(4-heptoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 54818376
ethyl 4-(4-ethylsulfonylanilino)-4-oxobutanoate
CID 30179824
N-[4-(cyanomethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78911112

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide (CID 79285005) is N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)Nc1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is MHQVGHQAMBPITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-9-14-10-13(16)15-11-5-7-12(8-6-11)19(17,18)4-2/h3,5-8,14H,1,4,9-10H2,2H3,(H,15,16).
What are the key properties of N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide?
N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).