4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

C12H15NO4S — CID 118669128

IUPAC4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCOc1ccc(C(=O)NC/C=C/S(C)(=O)=O)cc1
InChIInChI=1S/C12H15NO4S/c1-17-11-6-4-10(5-7-11)12(14)13-8-3-9-18(2,15)16/h3-7,9H,8H2,1-2H3,(H,13,14)/b9-3+
InChIKeyACNYIVZDRZLJNH-YCRREMRBSA-N
MW269.32 g/mol
LogP0.98
Rot. Bonds5

About 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide

4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (PubChem CID 118669128) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
PubChem CID118669128
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCOc1ccc(C(=O)NC/C=C/S(C)(=O)=O)cc1
InChIInChI=1S/C12H15NO4S/c1-17-11-6-4-10(5-7-11)12(14)13-8-3-9-18(2,15)16/h3-7,9H,8H2,1-2H3,(H,13,14)/b9-3+
InChIKeyACNYIVZDRZLJNH-YCRREMRBSA-N
XLogP0.98
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-methoxy-N-[(E)-pent-3-enyl]benzamide
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4-(4-methoxyphenoxy)-N-methylsulfonylbenzamide
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N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
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2-[(4-methoxybenzoyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The IUPAC name of 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (CID 118669128) is 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is COc1ccc(C(=O)NC/C=C/S(C)(=O)=O)cc1.
What is the InChIKey of 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The InChIKey is ACNYIVZDRZLJNH-YCRREMRBSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-17-11-6-4-10(5-7-11)12(14)13-8-3-9-18(2,15)16/h3-7,9H,8H2,1-2H3,(H,13,14)/b9-3+.
What are the key properties of 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide has a molecular weight of 269.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is sourced from PubChem (CID 118669128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).