4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

C22H20N4O2S — CID 11475200

IUPAC4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C22H20N4O2S/c1-14-5-10-18-19(12-14)26(2)22(28)20(25-18)24-16-8-6-15(7-9-16)21(27)23-13-17-4-3-11-29-17/h3-12H,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQGUDHYVGNFXDIJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.98
Rot. Bonds5

About 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide

4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11475200) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11475200
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1
InChIInChI=1S/C22H20N4O2S/c1-14-5-10-18-19(12-14)26(2)22(28)20(25-18)24-16-8-6-15(7-9-16)21(27)23-13-17-4-3-11-29-17/h3-12H,13H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyQGUDHYVGNFXDIJ-UHFFFAOYSA-N
XLogP3.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11475200) is 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1.
What is the InChIKey of 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is QGUDHYVGNFXDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-5-10-18-19(12-14)26(2)22(28)20(25-18)24-16-8-6-15(7-9-16)21(27)23-13-17-4-3-11-29-17/h3-12H,13H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 404.50 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 11475200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).