2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

C17H24N2O4S — CID 46994853

IUPAC2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-14(2)13-23-16-8-4-3-7-15(16)17(20)18-9-12-24(21,22)19-10-5-6-11-19/h3-4,7-8H,1,5-6,9-13H2,2H3,(H,18,20)
InChIKeyPZXLWSCXZVDDFS-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.80
Rot. Bonds8

About 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (PubChem CID 46994853) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
PubChem CID46994853
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1
InChIInChI=1S/C17H24N2O4S/c1-14(2)13-23-16-8-4-3-7-15(16)17(20)18-9-12-24(21,22)19-10-5-6-11-19/h3-4,7-8H,1,5-6,9-13H2,2H3,(H,18,20)
InChIKeyPZXLWSCXZVDDFS-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.80
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-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345334
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
2-ethoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16812488
N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46994347
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247
3-pyridin-2-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1H-pyrazole-5-carboxamide
CID 74249644
2-methoxy-N-(2-methylsulfonylethyl)benzamide
CID 47230081
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
2-fluoro-N-(2-thiomorpholin-4-ylsulfonylethyl)benzamide
CID 56782902
2-methoxy-N-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylethyl]benzamide
CID 41349582
phenyl N-[2-(azepan-1-ylsulfonyl)ethyl]carbamate
CID 110346050

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (CID 46994853) is 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is C=C(C)COc1ccccc1C(=O)NCCS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The InChIKey is PZXLWSCXZVDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-14(2)13-23-16-8-4-3-7-15(16)17(20)18-9-12-24(21,22)19-10-5-6-11-19/h3-4,7-8H,1,5-6,9-13H2,2H3,(H,18,20).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide has a molecular weight of 352.46 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 46994853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).