N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride

C15H21ClF3N3OS — CID 119445325

IUPACN-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSc1cccc(C(F)(F)F)c1)NCCN1CCNCC1
InChIInChI=1S/C15H20F3N3OS.ClH/c16-15(17,18)12-2-1-3-13(10-12)23-11-14(22)20-6-9-21-7-4-19-5-8-21;/h1-3,10,19H,4-9,11H2,(H,20,22);1H
InChIKeyIXEBIWZTTYRNSF-UHFFFAOYSA-N
MW383.87 g/mol
LogP2.24
Rot. Bonds6

About N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride

N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride (PubChem CID 119445325) has the molecular formula C15H21ClF3N3OS and a molecular weight of 383.87 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
PubChem CID119445325
Molecular FormulaC15H21ClF3N3OS
Molecular Weight383.87 g/mol
Exact Mass383.10
IUPAC NameN-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride
SMILESCl.O=C(CSc1cccc(C(F)(F)F)c1)NCCN1CCNCC1
InChIInChI=1S/C15H20F3N3OS.ClH/c16-15(17,18)12-2-1-3-13(10-12)23-11-14(22)20-6-9-21-7-4-19-5-8-21;/h1-3,10,19H,4-9,11H2,(H,20,22);1H
InChIKeyIXEBIWZTTYRNSF-UHFFFAOYSA-N
XLogP2.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-ylsulfanyl-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446088
N-(2-piperazin-1-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119447265
N-(2-piperazin-1-ylethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501365
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 119555497
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
2-(2,5-dimethylphenyl)sulfanyl-N-(2-piperazin-1-ylethyl)acetamide
CID 119448232
N-[2-oxo-2-(2-piperazin-1-ylethylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119446542
2-(3-fluorophenyl)-2-methyl-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445254
1-(2-methylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylethanone
CID 119470392
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride (CID 119445325) is N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride is Cl.O=C(CSc1cccc(C(F)(F)F)c1)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride?
The InChIKey is IXEBIWZTTYRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3OS.ClH/c16-15(17,18)12-2-1-3-13(10-12)23-11-14(22)20-6-9-21-7-4-19-5-8-21;/h1-3,10,19H,4-9,11H2,(H,20,22);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride has a molecular weight of 383.87 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide;hydrochloride is sourced from PubChem (CID 119445325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).