2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

C27H31N3O2S — CID 55432351

IUPAC2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H31N3O2S/c1-22(30-18-16-29(17-19-30)20-21-32-23-10-4-2-5-11-23)27(31)28-25-14-8-9-15-26(25)33-24-12-6-3-7-13-24/h2-15,22H,16-21H2,1H3,(H,28,31)
InChIKeyGDDORQFMLHBLDQ-UHFFFAOYSA-N
MW461.63 g/mol
LogP4.86
Rot. Bonds9

About 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 55432351) has the molecular formula C27H31N3O2S and a molecular weight of 461.63 g/mol. Its IUPAC name is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID55432351
Molecular FormulaC27H31N3O2S
Molecular Weight461.63 g/mol
Exact Mass461.21
IUPAC Name2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H31N3O2S/c1-22(30-18-16-29(17-19-30)20-21-32-23-10-4-2-5-11-23)27(31)28-25-14-8-9-15-26(25)33-24-12-6-3-7-13-24/h2-15,22H,16-21H2,1H3,(H,28,31)
InChIKeyGDDORQFMLHBLDQ-UHFFFAOYSA-N
XLogP4.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
(2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632840
(2S)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 30632833
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
(2S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30626970
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
CID 77012516

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide (CID 55432351) is 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide is CC(C(=O)Nc1ccccc1Sc1ccccc1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is GDDORQFMLHBLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2S/c1-22(30-18-16-29(17-19-30)20-21-32-23-10-4-2-5-11-23)27(31)28-25-14-8-9-15-26(25)33-24-12-6-3-7-13-24/h2-15,22H,16-21H2,1H3,(H,28,31).
What are the key properties of 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide?
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 461.63 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 55432351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).