N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

C25H31N5O2S — CID 46325028

IUPACN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(N2CCN(CCNC(=O)CSc3nc4ccccc4n(C)c3=O)CC2)c1C
InChIInChI=1S/C25H31N5O2S/c1-18-7-6-10-21(19(18)2)30-15-13-29(14-16-30)12-11-26-23(31)17-33-24-25(32)28(3)22-9-5-4-8-20(22)27-24/h4-10H,11-17H2,1-3H3,(H,26,31)
InChIKeyLKVLIRJLNBLPSN-UHFFFAOYSA-N
MW465.62 g/mol
LogP2.58
Rot. Bonds7

About N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (PubChem CID 46325028) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
PubChem CID46325028
Molecular FormulaC25H31N5O2S
Molecular Weight465.62 g/mol
Exact Mass465.22
IUPAC NameN-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
SMILESCc1cccc(N2CCN(CCNC(=O)CSc3nc4ccccc4n(C)c3=O)CC2)c1C
InChIInChI=1S/C25H31N5O2S/c1-18-7-6-10-21(19(18)2)30-15-13-29(14-16-30)12-11-26-23(31)17-33-24-25(32)28(3)22-9-5-4-8-20(22)27-24/h4-10H,11-17H2,1-3H3,(H,26,31)
InChIKeyLKVLIRJLNBLPSN-UHFFFAOYSA-N
XLogP2.58
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide 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-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768130
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 46325021
2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92869820
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 8582985
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062561
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6-methyl-2-methylsulfanylpyrimidine-4-carboxamide
CID 50899749
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019781
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-6-methyl-2-methylsulfanylpyrimidine-4-carboxamide;hydrochloride
CID 50899748
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 46056291

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide (CID 46325028) is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is Cc1cccc(N2CCN(CCNC(=O)CSc3nc4ccccc4n(C)c3=O)CC2)c1C.
What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is LKVLIRJLNBLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-18-7-6-10-21(19(18)2)30-15-13-29(14-16-30)12-11-26-23(31)17-33-24-25(32)28(3)22-9-5-4-8-20(22)27-24/h4-10H,11-17H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide?
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 465.62 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 46325028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).