(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone

C26H28N2O2S — CID 40783173

IUPAC(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2S/c1-2-30-24-16-10-9-15-23(24)27-17-19-28(20-18-27)26(29)25(21-11-5-3-6-12-21)31-22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3/t25-/m0/s1
InChIKeyCVDCNSWAKGHLPW-VWLOTQADSA-N
MW432.59 g/mol
LogP5.27
Rot. Bonds7

About (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone

(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (PubChem CID 40783173) has the molecular formula C26H28N2O2S and a molecular weight of 432.59 g/mol. Its IUPAC name is (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
PubChem CID40783173
Molecular FormulaC26H28N2O2S
Molecular Weight432.59 g/mol
Exact Mass432.19
IUPAC Name(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
SMILESCCOc1ccccc1N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2S/c1-2-30-24-16-10-9-15-23(24)27-17-19-28(20-18-27)26(29)25(21-11-5-3-6-12-21)31-22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3/t25-/m0/s1
InChIKeyCVDCNSWAKGHLPW-VWLOTQADSA-N
XLogP5.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylprop-2-en-1-one
CID 8966496
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 75864681
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 47031332
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856436
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The IUPAC name of (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone (CID 40783173) is (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is CCOc1ccccc1N1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
The InChIKey is CVDCNSWAKGHLPW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O2S/c1-2-30-24-16-10-9-15-23(24)27-17-19-28(20-18-27)26(29)25(21-11-5-3-6-12-21)31-22-13-7-4-8-14-22/h3-16,25H,2,17-20H2,1H3/t25-/m0/s1.
What are the key properties of (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone?
(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone has a molecular weight of 432.59 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone is sourced from PubChem (CID 40783173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).