2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide

C23H18FN3O3S — CID 46390480

IUPAC2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H18FN3O3S/c24-15-5-9-17(10-6-15)30-13-22(28)25-16-7-11-18(12-8-16)31-14-21-23(29)27-20-4-2-1-3-19(20)26-21/h1-12H,13-14H2,(H,25,28)(H,27,29)
InChIKeyMDVXTRMCSZMYQR-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.37
Rot. Bonds7

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

2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 46390480) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
PubChem CID46390480
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H18FN3O3S/c24-15-5-9-17(10-6-15)30-13-22(28)25-16-7-11-18(12-8-16)31-14-21-23(29)27-20-4-2-1-3-19(20)26-21/h1-12H,13-14H2,(H,25,28)(H,27,29)
InChIKeyMDVXTRMCSZMYQR-UHFFFAOYSA-N
XLogP4.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390468
N-[4-[(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 46390438
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-methoxy-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]benzamide
CID 46390444
N-(4-ethoxyphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164677
2-(4-fluorophenoxy)-N-[4-(1H-indol-2-yl)phenyl]acetamide
CID 46334514
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
N-(4-fluorophenyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53002388
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-butan-2-ylphenoxy)acetamide
CID 3653920
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide (CID 46390480) is 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide is O=C(COc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is MDVXTRMCSZMYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c24-15-5-9-17(10-6-15)30-13-22(28)25-16-7-11-18(12-8-16)31-14-21-23(29)27-20-4-2-1-3-19(20)26-21/h1-12H,13-14H2,(H,25,28)(H,27,29).
What are the key properties of 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 46390480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).