(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone

C24H24N2OS — CID 2997168

IUPAC(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(26-17-15-25(16-18-26)21-11-5-2-6-12-21)22-13-7-8-14-23(22)28-19-20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyBBFVZWBXZREWHY-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.94
Rot. Bonds5

About (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone

(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2997168) has the molecular formula C24H24N2OS and a molecular weight of 388.54 g/mol. Its IUPAC name is (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID2997168
Molecular FormulaC24H24N2OS
Molecular Weight388.54 g/mol
Exact Mass388.16
IUPAC Name(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H24N2OS/c27-24(26-17-15-25(16-18-26)21-11-5-2-6-12-21)22-13-7-8-14-23(22)28-19-20-9-3-1-4-10-20/h1-14H,15-19H2
InChIKeyBBFVZWBXZREWHY-UHFFFAOYSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
2-[2-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
CID 60556704
[4-(4-fluorophenyl)piperazin-1-yl]-(2-propylsulfanylphenyl)methanone
CID 6458145
4-[[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylmethyl]benzonitrile
CID 112789369
1-[4-[4-[2-(thiophen-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]phenyl]ethanone
CID 17466011
2-[[4-[(2-carboxyphenyl)sulfanylmethyl]phenyl]methylsulfanyl]benzoic acid
CID 4101619
4-[[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile
CID 112759899
(4-benzylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 148655081
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 4631912

Frequently Asked Questions

What is the IUPAC name of (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 2997168) is (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BBFVZWBXZREWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS/c27-24(26-17-15-25(16-18-26)21-11-5-2-6-12-21)22-13-7-8-14-23(22)28-19-20-9-3-1-4-10-20/h1-14H,15-19H2.
What are the key properties of (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 388.54 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).