4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

C22H20N4O2S — CID 11774080

IUPAC4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C22H20N4O2S/c1-2-26-19-8-4-3-7-18(19)25-20(22(26)28)24-16-11-9-15(10-12-16)21(27)23-14-17-6-5-13-29-17/h3-13H,2,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAYNNUMJKAWQWRW-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.15
Rot. Bonds6

About 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11774080) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11774080
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C22H20N4O2S/c1-2-26-19-8-4-3-7-18(19)25-20(22(26)28)24-16-11-9-15(10-12-16)21(27)23-14-17-6-5-13-29-17/h3-13H,2,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAYNNUMJKAWQWRW-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11774080) is 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21.
What is the InChIKey of 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is AYNNUMJKAWQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-2-26-19-8-4-3-7-18(19)25-20(22(26)28)24-16-11-9-15(10-12-16)21(27)23-14-17-6-5-13-29-17/h3-13H,2,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 404.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 11774080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).