2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

C24H25N3O2S — CID 2402500

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-22-12-6-5-11-21(22)27-16-14-26(15-17-27)18-24(29)25-20-10-4-7-13-23(20)30-19-8-2-1-3-9-19/h1-13,28H,14-18H2,(H,25,29)
InChIKeyCAXZXFBQNOZINB-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.30
Rot. Bonds6

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 2402500) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID2402500
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C24H25N3O2S/c28-22-12-6-5-11-21(22)27-16-14-26(15-17-27)18-24(29)25-20-10-4-7-13-23(20)30-19-8-2-1-3-9-19/h1-13,28H,14-18H2,(H,25,29)
InChIKeyCAXZXFBQNOZINB-UHFFFAOYSA-N
XLogP4.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 3955364
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2685640
N-(2,3-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2654826
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 43025777
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 55988345
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
2-hydroxy-N-(2-phenylsulfanylphenyl)acetamide
CID 8006850
N-(2-methoxyphenyl)-1-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 37177063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide (CID 2402500) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is CAXZXFBQNOZINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-22-12-6-5-11-21(22)27-16-14-26(15-17-27)18-24(29)25-20-10-4-7-13-23(20)30-19-8-2-1-3-9-19/h1-13,28H,14-18H2,(H,25,29).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 419.55 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 2402500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).