2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C21H27N3OS — CID 17399328

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H27N3OS/c1-16-8-9-20(17(2)14-16)26-15-21(25)22-18-6-4-5-7-19(18)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyWQIKFDHIHXKVNM-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.79
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 17399328) has the molecular formula C21H27N3OS and a molecular weight of 369.53 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID17399328
Molecular FormulaC21H27N3OS
Molecular Weight369.53 g/mol
Exact Mass369.19
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c(C)c1
InChIInChI=1S/C21H27N3OS/c1-16-8-9-20(17(2)14-16)26-15-21(25)22-18-6-4-5-7-19(18)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyWQIKFDHIHXKVNM-UHFFFAOYSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
3-acetamido-3-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 51314280
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160208
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4553018
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3918343
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
N-(2-fluoro-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 26683495
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 17399328) is 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ccc(SCC(=O)Nc2ccccc2N2CCN(C)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is WQIKFDHIHXKVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3OS/c1-16-8-9-20(17(2)14-16)26-15-21(25)22-18-6-4-5-7-19(18)24-12-10-23(3)11-13-24/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 369.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 17399328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).