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

C21H18N4O2S — CID 11292222

IUPAC4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C21H18N4O2S/c1-25-18-7-3-2-6-17(18)24-19(21(25)27)23-15-10-8-14(9-11-15)20(26)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyPTCVBYZQODIWFK-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.67
Rot. Bonds5

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

4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 11292222) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID11292222
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Name4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21
InChIInChI=1S/C21H18N4O2S/c1-25-18-7-3-2-6-17(18)24-19(21(25)27)23-15-10-8-14(9-11-15)20(26)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,26)(H,23,24)
InChIKeyPTCVBYZQODIWFK-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.67
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-ylmethyl)benzamide?
The IUPAC name of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 11292222) is 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide is Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21.
What is the InChIKey of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is PTCVBYZQODIWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-25-18-7-3-2-6-17(18)24-19(21(25)27)23-15-10-8-14(9-11-15)20(26)22-13-16-5-4-12-28-16/h2-12H,13H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide?
4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 390.47 g/mol, XLogP of 3.67, 5 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-ylmethyl)benzamide is sourced from PubChem (CID 11292222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).