2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

C15H22N2O4S — CID 2914975

IUPAC2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(c1ccc(OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-5-11-16-15(18)12(3)17(22(4,19)20)13-7-9-14(10-8-13)21-6-2/h5,7-10,12H,1,6,11H2,2-4H3,(H,16,18)
InChIKeyRXUZHFCNMWJXRS-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.54
Rot. Bonds8

About 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide

2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (PubChem CID 2914975) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
PubChem CID2914975
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N(c1ccc(OCC)cc1)S(C)(=O)=O
InChIInChI=1S/C15H22N2O4S/c1-5-11-16-15(18)12(3)17(22(4,19)20)13-7-9-14(10-8-13)21-6-2/h5,7-10,12H,1,6,11H2,2-4H3,(H,16,18)
InChIKeyRXUZHFCNMWJXRS-UHFFFAOYSA-N
XLogP1.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.54
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

(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 124561228
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-phenoxyethyl)propanamide
CID 125057294
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 125075203
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 125075204
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 133185303
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 1320042
(2S)-N-(4-chlorophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1321192
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
(2S)-N-(4-bromophenyl)-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1333977
(2R)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 125070834
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133185289

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide (CID 2914975) is 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N(c1ccc(OCC)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
The InChIKey is RXUZHFCNMWJXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-11-16-15(18)12(3)17(22(4,19)20)13-7-9-14(10-8-13)21-6-2/h5,7-10,12H,1,6,11H2,2-4H3,(H,16,18).
What are the key properties of 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide?
2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 2914975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).