(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H21FN2OS — CID 971995

IUPAC(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2OS/c1-2-24-18-10-6-3-7-15(18)19(23)22-13-11-21(12-14-22)17-9-5-4-8-16(17)20/h3-10H,2,11-14H2,1H3
InChIKeyOPBIMQGGUOKXPZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.90
Rot. Bonds4

About (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone

(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 971995) has the molecular formula C19H21FN2OS and a molecular weight of 344.46 g/mol. Its IUPAC name is (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID971995
Molecular FormulaC19H21FN2OS
Molecular Weight344.46 g/mol
Exact Mass344.14
IUPAC Name(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H21FN2OS/c1-2-24-18-10-6-3-7-15(18)19(23)22-13-11-21(12-14-22)17-9-5-4-8-16(17)20/h3-10H,2,11-14H2,1H3
InChIKeyOPBIMQGGUOKXPZ-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 971995) is (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is OPBIMQGGUOKXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-2-24-18-10-6-3-7-15(18)19(23)22-13-11-21(12-14-22)17-9-5-4-8-16(17)20/h3-10H,2,11-14H2,1H3.
What are the key properties of (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylsulfanylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 971995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).