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

C18H25NO4S — CID 170718007

IUPAC4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+
InChIKeyNQFYDLPTEPDMIT-WUXMJOGZSA-N
MW351.47 g/mol
LogP3.03
Rot. Bonds7

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

4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (PubChem CID 170718007) has the molecular formula C18H25NO4S and a molecular weight of 351.47 g/mol. Its IUPAC name is 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.

Molecular Properties

Compound Name4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
PubChem CID170718007
Molecular FormulaC18H25NO4S
Molecular Weight351.47 g/mol
Exact Mass351.15
IUPAC Name4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
SMILESCCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O
InChIInChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+
InChIKeyNQFYDLPTEPDMIT-WUXMJOGZSA-N
XLogP3.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The IUPAC name of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide (CID 170718007) is 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide.
What is the SMILES notation for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The canonical SMILES for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is CCOc1cc(C2CCCC2)ccc1C(=O)NC/C=C/S(C)(=O)=O.
What is the InChIKey of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
The InChIKey is NQFYDLPTEPDMIT-WUXMJOGZSA-N. The full InChI is InChI=1S/C18H25NO4S/c1-3-23-17-13-15(14-7-4-5-8-14)9-10-16(17)18(20)19-11-6-12-24(2,21)22/h6,9-10,12-14H,3-5,7-8,11H2,1-2H3,(H,19,20)/b12-6+.
What are the key properties of 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide?
4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide has a molecular weight of 351.47 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-ethoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide is sourced from PubChem (CID 170718007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).