N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

C18H20FN3O2S — CID 18579474

IUPACN-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1F
InChIInChI=1S/C18H20FN3O2S/c1-12-6-7-14(10-15(12)19)22-9-8-20-17(18(22)24)25-11-16(23)21-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,23)
InChIKeyRYTRQMWKHXBVNY-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.83
Rot. Bonds5

About N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide

N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 18579474) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID18579474
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC NameN-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1F
InChIInChI=1S/C18H20FN3O2S/c1-12-6-7-14(10-15(12)19)22-9-8-20-17(18(22)24)25-11-16(23)21-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,23)
InChIKeyRYTRQMWKHXBVNY-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941979
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7386513
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 18579464
2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 7386681
N-(3-chloro-4-fluorophenyl)-2-[4-(3,4-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941933
N-(3,4-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20941833
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 18579432
N-(3,5-dimethylphenyl)-2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824601
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18579429
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 7386529
N-(2,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246354
1-(3-fluoro-4-methylphenyl)-3-hydrazinylpyrazin-2-one
CID 112708450

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 18579474) is N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1F.
What is the InChIKey of N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is RYTRQMWKHXBVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-12-6-7-14(10-15(12)19)22-9-8-20-17(18(22)24)25-11-16(23)21-13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,21,23).
What are the key properties of N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 361.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 18579474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).