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

C20H18FN3O2S — CID 53130184

IUPACN-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nccnc2Oc2ccccc2C)ccc1F
InChIInChI=1S/C20H18FN3O2S/c1-13-5-3-4-6-17(13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-7-8-16(21)14(2)11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyCGBMSXSNNQFNMC-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.76
Rot. Bonds6

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

N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide (PubChem CID 53130184) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
PubChem CID53130184
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2nccnc2Oc2ccccc2C)ccc1F
InChIInChI=1S/C20H18FN3O2S/c1-13-5-3-4-6-17(13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-7-8-16(21)14(2)11-15/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyCGBMSXSNNQFNMC-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-(3-fluoro-4-methylphenyl)-2-[3-(4-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130059
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 95092363
N-[1-(2,4-dimethylphenyl)ethyl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide
CID 53130191
2-(3-phenoxypyrazin-2-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53130118
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylethanone
CID 53130155
2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanyl-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 95092369
(2-chlorophenyl) 2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 3520901
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
N-(3,4-difluorophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 763188
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide (CID 53130184) is N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide is Cc1cc(NC(=O)CSc2nccnc2Oc2ccccc2C)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
The InChIKey is CGBMSXSNNQFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-13-5-3-4-6-17(13)26-19-20(23-10-9-22-19)27-12-18(25)24-15-7-8-16(21)14(2)11-15/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of N-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide?
N-(4-fluoro-3-methylphenyl)-2-[3-(2-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-(4-fluoro-3-methylphenyl)-2-[3-(2-methylphenoxy)pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 53130184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).