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

C23H18FN3O2S — CID 46390468

IUPAC2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H18FN3O2S/c24-16-7-5-15(6-8-16)13-22(28)25-17-9-11-18(12-10-17)30-14-21-23(29)27-20-4-2-1-3-19(20)26-21/h1-12H,13-14H2,(H,25,28)(H,27,29)
InChIKeyDCYPKXVLFIBQGW-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.54
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 46390468) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
PubChem CID46390468
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C23H18FN3O2S/c24-16-7-5-15(6-8-16)13-22(28)25-17-9-11-18(12-10-17)30-14-21-23(29)27-20-4-2-1-3-19(20)26-21/h1-12H,13-14H2,(H,25,28)(H,27,29)
InChIKeyDCYPKXVLFIBQGW-UHFFFAOYSA-N
XLogP4.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide
CID 46390480
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-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 46290552
N-[4-[(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 46390438
N-[4-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 15531658
2-(4-methoxyphenyl)-N-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 46390491
3-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 43304036
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586804
3-[(2-hydroxyphenyl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 62000689
2-(3-oxo-4H-quinoxalin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3323158

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide (CID 46390468) is 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(SCc2nc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is DCYPKXVLFIBQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-16-7-5-15(6-8-16)13-22(28)25-17-9-11-18(12-10-17)30-14-21-23(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-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 46390468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).