N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

C25H22FN3OS — CID 46357625

IUPACN-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H22FN3OS/c1-17-7-9-18(10-8-17)15-23-25(28-22-6-4-3-5-21(22)27-23)31-16-24(30)29(2)20-13-11-19(26)12-14-20/h3-14H,15-16H2,1-2H3
InChIKeyIHNXHPJWBQCKFW-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.42
Rot. Bonds6

About N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide

N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (PubChem CID 46357625) has the molecular formula C25H22FN3OS and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
PubChem CID46357625
Molecular FormulaC25H22FN3OS
Molecular Weight431.54 g/mol
Exact Mass431.15
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
SMILESCc1ccc(Cc2nc3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C25H22FN3OS/c1-17-7-9-18(10-8-17)15-23-25(28-22-6-4-3-5-21(22)27-23)31-16-24(30)29(2)20-13-11-19(26)12-14-20/h3-14H,15-16H2,1-2H3
InChIKeyIHNXHPJWBQCKFW-UHFFFAOYSA-N
XLogP5.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357614
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenylacetamide
CID 46357628
N-benzyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-methylacetamide
CID 46357705
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 46357608
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 46357715
2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 46357700
2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 46357731
N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
CID 6618537
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2423564
N-(4-fluorophenyl)-N-methyl-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
CID 22587822
2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92893166

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide (CID 46357625) is N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)N(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
The InChIKey is IHNXHPJWBQCKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3OS/c1-17-7-9-18(10-8-17)15-23-25(28-22-6-4-3-5-21(22)27-23)31-16-24(30)29(2)20-13-11-19(26)12-14-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide?
N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide has a molecular weight of 431.54 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide is sourced from PubChem (CID 46357625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).