N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide

C11H12FNOS — CID 135084606

IUPACN-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide
SMILESCS/C=C(\NC(C)=O)c1ccccc1F
InChIInChI=1S/C11H12FNOS/c1-8(14)13-11(7-15-2)9-5-3-4-6-10(9)12/h3-7H,1-2H3,(H,13,14)/b11-7-
InChIKeyULQSEKJMMIHZNV-XFFZJAGNSA-N
MW225.29 g/mol
LogP2.62
Rot. Bonds3

About N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide

N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide (PubChem CID 135084606) has the molecular formula C11H12FNOS and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide
PubChem CID135084606
Molecular FormulaC11H12FNOS
Molecular Weight225.29 g/mol
Exact Mass225.06
IUPAC NameN-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide
SMILESCS/C=C(\NC(C)=O)c1ccccc1F
InChIInChI=1S/C11H12FNOS/c1-8(14)13-11(7-15-2)9-5-3-4-6-10(9)12/h3-7H,1-2H3,(H,13,14)/b11-7-
InChIKeyULQSEKJMMIHZNV-XFFZJAGNSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide?
The IUPAC name of N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide (CID 135084606) is N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide.
What is the SMILES notation for N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide?
The canonical SMILES for N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide is CS/C=C(\NC(C)=O)c1ccccc1F.
What is the InChIKey of N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide?
The InChIKey is ULQSEKJMMIHZNV-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H12FNOS/c1-8(14)13-11(7-15-2)9-5-3-4-6-10(9)12/h3-7H,1-2H3,(H,13,14)/b11-7-.
What are the key properties of N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide?
N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide has a molecular weight of 225.29 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-fluorophenyl)-2-methylsulfanylethenyl]acetamide is sourced from PubChem (CID 135084606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).