N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide

C20H25N3OS — CID 12734396

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
SMILESCN1CCN(CC(=O)N(C)c2ccc(Sc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3OS/c1-21-12-14-23(15-13-21)16-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyQNWICIWAXHLXJI-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.05
Rot. Bonds5

About N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide

N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide (PubChem CID 12734396) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
PubChem CID12734396
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
SMILESCN1CCN(CC(=O)N(C)c2ccc(Sc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3OS/c1-21-12-14-23(15-13-21)16-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3
InChIKeyQNWICIWAXHLXJI-UHFFFAOYSA-N
XLogP3.05
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
2-(4-methylpiperazin-1-yl)-1-(4-phenylsulfanylphenyl)ethanone;dihydrochloride
CID 44723853
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N-methyl-2-(4-methylpiperazin-1-yl)-N-[4-(1-phenylethenylamino)phenyl]acetamide
CID 145030171
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-(4-formylpiperidin-1-yl)-N-methyl-N-phenylacetamide
CID 62656804
N-methyl-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 78808493
2-(4-methylpiperazin-1-yl)-1-(2-phenylsulfanylphenyl)ethanone
CID 51057854
2-[4-(2,3-dihydroxypropyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3856985
N-benzyl-N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 57062888
2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-phenylacetamide
CID 40702187

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide (CID 12734396) is N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide is CN1CCN(CC(=O)N(C)c2ccc(Sc3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide?
The InChIKey is QNWICIWAXHLXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-21-12-14-23(15-13-21)16-20(24)22(2)17-8-10-19(11-9-17)25-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide?
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide has a molecular weight of 355.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 12734396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).