N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

C15H20N2O4S — CID 3153449

IUPACN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h2,5-8H,1,3-4,9-12H2,(H,16,18)
InChIKeyOZRCLXWMVIXRNE-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.15
Rot. Bonds7

About N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide

N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (PubChem CID 3153449) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
PubChem CID3153449
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
SMILESC=CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h2,5-8H,1,3-4,9-12H2,(H,16,18)
InChIKeyOZRCLXWMVIXRNE-UHFFFAOYSA-N
XLogP1.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.15
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

1-(4-Butoxy-benzenesulfonyl)-4-(2-methoxy-acetylamino)-pyrrolidine-2-carboxylic acid hydroxyamide
CID 10670246
N-methyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082957
N-propan-2-yl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1082958
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
2-(4-Piperidin-1-ylsulfonylphenoxy)-1-pyrrolidin-1-ylethanone
CID 6459962
N-cyclopropyl-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopentylacetamide
CID 1005556
Ethyl 4-({4-[(isopropylamino)sulfonyl]phenoxy}acetyl)-1-piperazinecarboxylate
CID 1083022
N-[2-(4-methoxyphenyl)ethyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084089
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{4-[(cyclohexylamino)sulfonyl]phenoxy}acetamide
CID 1210584

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The IUPAC name of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide (CID 3153449) is N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is C=CCNC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
The InChIKey is OZRCLXWMVIXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-9-16-15(18)12-21-13-5-7-14(8-6-13)22(19,20)17-10-3-4-11-17/h2,5-8H,1,3-4,9-12H2,(H,16,18).
What are the key properties of N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide?
N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide has a molecular weight of 324.40 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide is sourced from PubChem (CID 3153449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).