2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

C20H25N3O2S — CID 2107485

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-17-9-7-16(8-10-17)23-13-11-22(12-14-23)15-20(24)21-18-5-3-4-6-19(18)26-2/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyITMSURDFRPXGBI-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.18
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 2107485) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID2107485
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-17-9-7-16(8-10-17)23-13-11-22(12-14-23)15-20(24)21-18-5-3-4-6-19(18)26-2/h3-10H,11-15H2,1-2H3,(H,21,24)
InChIKeyITMSURDFRPXGBI-UHFFFAOYSA-N
XLogP3.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

Ucm 765
CID 24749950
2-(4-Cyanomethyl-piperazin-1-yl)-N-(4-methoxy-phenyl)-acetamide
CID 586701
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
N-(4-Methoxyphenyl)-2-(4-phenyl-1-piperazinyl)acetamide
CID 975074
N-(4-phenoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2940986
7-Methoxy-1,4-benzothiazin-3(4H)-one
CID 403666
N-benzyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 863795
N-(4-ethoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 972027
2-[(2-aminophenyl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 972877
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1095014
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 2441315
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 2441633

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide (CID 2107485) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is COc1ccc(N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ITMSURDFRPXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-17-9-7-16(8-10-17)23-13-11-22(12-14-23)15-20(24)21-18-5-3-4-6-19(18)26-2/h3-10H,11-15H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 371.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 2107485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).