(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone

C19H22N2O2S — CID 669785

IUPAC(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-18-14-16(24-2)8-9-17(18)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyBMASKJDSVXPXDX-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.38
Rot. Bonds4

About (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone

(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 669785) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID669785
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-18-14-16(24-2)8-9-17(18)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyBMASKJDSVXPXDX-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

JX401
CID 1126109
(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
(2-Isopropoxy-5-(methylsulfonyl)phenyl)(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methanone
CID 44580386
[4-(3-Chloro-phenyl)-piperazin-1-yl]-(2-methoxy-phenyl)-methanone
CID 646835
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
(2-Methoxyphenyl)[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 1317476
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 2646003
2-methoxy-N-[2-(4-phenyl-1-piperazinyl)ethyl]benzamide hydrochloride
CID 2861859
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 669785) is (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone is COc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is BMASKJDSVXPXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-18-14-16(24-2)8-9-17(18)19(22)21-12-10-20(11-13-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 342.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 669785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).