N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide

C20H18FN3O2S — CID 53130059

IUPACN-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-13-3-7-16(8-4-13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-6-5-14(2)17(21)11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyBDGYHBLJBZRZRX-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.76
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide

N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide (PubChem CID 53130059) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
PubChem CID53130059
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C20H18FN3O2S/c1-13-3-7-16(8-4-13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-6-5-14(2)17(21)11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyBDGYHBLJBZRZRX-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130184
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
N-(3-fluoro-4-methylphenyl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862282
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 18579464
2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 43237534
N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2507663
N-(3-fluoro-4-methylphenyl)-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957658
N-(3-fluoro-4-methylphenyl)-2-[[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetamide
CID 7531493
2-[(4,12-dimethyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 22552593
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9427535
N-(3-fluoro-4-methylphenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 47106371

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide (CID 53130059) is N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide is Cc1ccc(Oc2nccnc2SCC(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The InChIKey is BDGYHBLJBZRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-3-7-16(8-4-13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-6-5-14(2)17(21)11-15/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide has a molecular weight of 383.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 53130059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).