2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

C14H21N3O2S — CID 9205759

IUPAC2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(SCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-16-7-9-17(10-8-16)15-14(18)11-20-13-5-3-12(19-2)4-6-13/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyKQXIPFXJGBBGJP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.07
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide

2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 9205759) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID9205759
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(SCC(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O2S/c1-16-7-9-17(10-8-16)15-14(18)11-20-13-5-3-12(19-2)4-6-13/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyKQXIPFXJGBBGJP-UHFFFAOYSA-N
XLogP1.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205311
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
2-(2,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)acetamide
CID 84556181
2-(4-methoxy-N-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoethyl]anilino)acetic acid
CID 25219972
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
methyl 2-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetate
CID 82344743
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 113344707
N-(4-methoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83021572
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide (CID 9205759) is 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is COc1ccc(SCC(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KQXIPFXJGBBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16-7-9-17(10-8-16)15-14(18)11-20-13-5-3-12(19-2)4-6-13/h3-6H,7-11H2,1-2H3,(H,15,18).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide?
2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9205759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).