4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide

C20H16N4O2S — CID 11303405

IUPAC4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)Nc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C20H16N4O2S/c1-24-16-6-3-2-5-15(16)22-18(20(24)26)21-14-10-8-13(9-11-14)19(25)23-17-7-4-12-27-17/h2-12H,1H3,(H,21,22)(H,23,25)
InChIKeyJTSJUBCXGDNOBZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.99
Rot. Bonds4

About 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide

4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide (PubChem CID 11303405) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide
PubChem CID11303405
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)Nc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C20H16N4O2S/c1-24-16-6-3-2-5-15(16)22-18(20(24)26)21-14-10-8-13(9-11-14)19(25)23-17-7-4-12-27-17/h2-12H,1H3,(H,21,22)(H,23,25)
InChIKeyJTSJUBCXGDNOBZ-UHFFFAOYSA-N
XLogP3.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide?
The IUPAC name of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide (CID 11303405) is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide.
What is the SMILES notation for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide?
The canonical SMILES for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide is Cn1c(=O)c(Nc2ccc(C(=O)Nc3cccs3)cc2)nc2ccccc21.
What is the InChIKey of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide?
The InChIKey is JTSJUBCXGDNOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-24-16-6-3-2-5-15(16)22-18(20(24)26)21-14-10-8-13(9-11-14)19(25)23-17-7-4-12-27-17/h2-12H,1H3,(H,21,22)(H,23,25).
What are the key properties of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide?
4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide has a molecular weight of 376.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-thiophen-2-ylbenzamide is sourced from PubChem (CID 11303405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).