N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide

C23H32N4O2S — CID 8804451

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCc1ccsc1CN(C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C23H32N4O2S/c1-17-8-13-30-20(17)14-25(4)16-22(29)27-11-9-26(10-12-27)15-21(28)24-23-18(2)6-5-7-19(23)3/h5-8,13H,9-12,14-16H2,1-4H3,(H,24,28)
InChIKeyIIYNMCQZSZRASN-UHFFFAOYSA-N
MW428.60 g/mol
LogP2.89
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 8804451) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID8804451
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCc1ccsc1CN(C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InChIInChI=1S/C23H32N4O2S/c1-17-8-13-30-20(17)14-25(4)16-22(29)27-11-9-26(10-12-27)15-21(28)24-23-18(2)6-5-7-19(23)3/h5-8,13H,9-12,14-16H2,1-4H3,(H,24,28)
InChIKeyIIYNMCQZSZRASN-UHFFFAOYSA-N
XLogP2.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
N-(2,6-dimethylphenyl)-2-[4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 31785049
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 9433997
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
N-(2,6-dimethylphenyl)-2-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]acetamide
CID 120982303
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8793749
N-(2,6-dimethylphenyl)-2-[4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetyl]piperazin-1-yl]acetamide
CID 45281305
4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
N-(2,6-dimethylphenyl)-2-[4-[2-(4-nitrophenyl)acetyl]piperazin-1-yl]acetamide
CID 9021521
2-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917312

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide (CID 8804451) is N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide is Cc1ccsc1CN(C)CC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is IIYNMCQZSZRASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-17-8-13-30-20(17)14-25(4)16-22(29)27-11-9-26(10-12-27)15-21(28)24-23-18(2)6-5-7-19(23)3/h5-8,13H,9-12,14-16H2,1-4H3,(H,24,28).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 428.60 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8804451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).