2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C21H30N4O2S — CID 50780952

IUPAC2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)c(SCC(=O)NCCCN2CCCCC2C)nc2ccccc21
InChIInChI=1S/C21H30N4O2S/c1-3-25-18-11-5-4-10-17(18)23-20(21(25)27)28-15-19(26)22-12-8-14-24-13-7-6-9-16(24)2/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,22,26)
InChIKeyRXNRBRAEAVUIOQ-UHFFFAOYSA-N
MW402.56 g/mol
LogP2.89
Rot. Bonds8

About 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 50780952) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID50780952
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)c(SCC(=O)NCCCN2CCCCC2C)nc2ccccc21
InChIInChI=1S/C21H30N4O2S/c1-3-25-18-11-5-4-10-17(18)23-20(21(25)27)28-15-19(26)22-12-8-14-24-13-7-6-9-16(24)2/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,22,26)
InChIKeyRXNRBRAEAVUIOQ-UHFFFAOYSA-N
XLogP2.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]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-cycloheptyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781489
N-cyclopropyl-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50781324
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
CID 42735163
N-[(2S)-butan-2-yl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 92889336
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 42753873
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 95059171
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 95059172
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50781668

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 50780952) is 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CCn1c(=O)c(SCC(=O)NCCCN2CCCCC2C)nc2ccccc21.
What is the InChIKey of 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is RXNRBRAEAVUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-3-25-18-11-5-4-10-17(18)23-20(21(25)27)28-15-19(26)22-12-8-14-24-13-7-6-9-16(24)2/h4-5,10-11,16H,3,6-9,12-15H2,1-2H3,(H,22,26).
What are the key properties of 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 402.56 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 50780952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).