N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C24H21FN4O2S — CID 46594988

IUPACN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-17-5-11-21(12-6-17)29-16-26-28-24(29)32-15-23(30)27-20-3-2-4-22(13-20)31-14-18-7-9-19(25)10-8-18/h2-13,16H,14-15H2,1H3,(H,27,30)
InChIKeyWHSLPKTVJCWFAL-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.02
Rot. Bonds8

About N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 46594988) has the molecular formula C24H21FN4O2S and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID46594988
Molecular FormulaC24H21FN4O2S
Molecular Weight448.52 g/mol
Exact Mass448.14
IUPAC NameN-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H21FN4O2S/c1-17-5-11-21(12-6-17)29-16-26-28-24(29)32-15-23(30)27-20-3-2-4-22(13-20)31-14-18-7-9-19(25)10-8-18/h2-13,16H,14-15H2,1H3,(H,27,30)
InChIKeyWHSLPKTVJCWFAL-UHFFFAOYSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-methyl-N-[3-[[2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]propanamide
CID 39131822
N-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40631180
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
N-(3-methylphenyl)-2-[[4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31775569
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 55535836
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712349
N-(4-chlorophenyl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 31780140
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 55327177
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55534566
N-[4-(methylcarbamoylamino)phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55547174
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4049491
N-(3,5-dimethylphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2573218

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 46594988) is N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is Cc1ccc(-n2cnnc2SCC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is WHSLPKTVJCWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S/c1-17-5-11-21(12-6-17)29-16-26-28-24(29)32-15-23(30)27-20-3-2-4-22(13-20)31-14-18-7-9-19(25)10-8-18/h2-13,16H,14-15H2,1H3,(H,27,30).
What are the key properties of N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 46594988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).