N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide

C20H23N3O2S — CID 8962484

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3CCNC(=O)C3)cc2)cc1C
InChIInChI=1S/C20H23N3O2S/c1-14-3-6-18(11-15(14)2)26-17-7-4-16(5-8-17)22-20(25)13-23-10-9-21-19(24)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIULSPTUDDRYUHP-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8962484) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8962484
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CN3CCNC(=O)C3)cc2)cc1C
InChIInChI=1S/C20H23N3O2S/c1-14-3-6-18(11-15(14)2)26-17-7-4-16(5-8-17)22-20(25)13-23-10-9-21-19(24)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIULSPTUDDRYUHP-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-(3-oxopiperazin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2656984
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 26623969
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 16778689
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
CID 17488047
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 8962484) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide is Cc1ccc(Sc2ccc(NC(=O)CN3CCNC(=O)C3)cc2)cc1C.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is IULSPTUDDRYUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-3-6-18(11-15(14)2)26-17-7-4-16(5-8-17)22-20(25)13-23-10-9-21-19(24)12-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8962484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).