2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide

C23H19N3O3S — CID 46390444

IUPAC2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-21-9-5-2-6-17(21)22(27)24-15-10-12-16(13-11-15)30-14-20-23(28)26-19-8-4-3-7-18(19)25-20/h2-13H,14H2,1H3,(H,24,27)(H,26,28)
InChIKeyKQTDUZWKYBJMRB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.48
Rot. Bonds6

About 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide

2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide (PubChem CID 46390444) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
PubChem CID46390444
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H19N3O3S/c1-29-21-9-5-2-6-17(21)22(27)24-15-10-12-16(13-11-15)30-14-20-23(28)26-19-8-4-3-7-18(19)25-20/h2-13H,14H2,1H3,(H,24,27)(H,26,28)
InChIKeyKQTDUZWKYBJMRB-UHFFFAOYSA-N
XLogP4.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide with MolForge

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Related Compounds

N-[4-[(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-ethoxybenzamide
CID 46390416
1-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-3-phenylurea
CID 46390482
2,6-difluoro-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
CID 46390470
2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390468
2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390480
N-[4-[(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 46390418
2-methoxy-N-(4-quinolin-2-ylphenyl)benzamide
CID 46376165
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
N-[4-[(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 46390438
2,6-dimethoxy-N-[4-[2-(2-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780728
3-[(2-hydroxyphenyl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 62000689

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide (CID 46390444) is 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide?
The InChIKey is KQTDUZWKYBJMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-29-21-9-5-2-6-17(21)22(27)24-15-10-12-16(13-11-15)30-14-20-23(28)26-19-8-4-3-7-18(19)25-20/h2-13H,14H2,1H3,(H,24,27)(H,26,28).
What are the key properties of 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide?
2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide has a molecular weight of 417.49 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide is sourced from PubChem (CID 46390444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).