(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H24N2O3S — CID 1147568

IUPAC(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H24N2O3S/c1-24-18-7-5-4-6-17(18)21-10-12-22(13-11-21)20(23)16-9-8-15(26-3)14-19(16)25-2/h4-9,14H,10-13H2,1-3H3
InChIKeyKQFAYSOEMKUZBH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.39
Rot. Bonds5

About (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1147568) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID1147568
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C20H24N2O3S/c1-24-18-7-5-4-6-17(18)21-10-12-22(13-11-21)20(23)16-9-8-15(26-3)14-19(16)25-2/h4-9,14H,10-13H2,1-3H3
InChIKeyKQFAYSOEMKUZBH-UHFFFAOYSA-N
XLogP3.39
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

JX401
CID 1126109
(2,3-Dihydro-indol-1-yl)-(2-methoxy-4-methylsulfanyl-phenyl)-methanone
CID 602616
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
(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
N-benzyl-2-methoxy-4-methylsulfanyl-N-phenylbenzamide
CID 24671646
[4-(2-Methoxyphenyl)piperazin-1-yl](2-phenoxyphenyl)methanone
CID 660125
2-Methoxy-4-methylsulfanyl-N-[4-(2-morpholin-4-yl-2-oxo-ethoxy)-phenyl]-benzamide
CID 1075656
(4-Benzylpiperazin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1124072
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10832895
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-propylbenzamide
CID 146957784

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 1147568) is (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1cc(SC)ccc1C(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KQFAYSOEMKUZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-18-7-5-4-6-17(18)21-10-12-22(13-11-21)20(23)16-9-8-15(26-3)14-19(16)25-2/h4-9,14H,10-13H2,1-3H3.
What are the key properties of (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 372.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylsulfanylphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1147568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).