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

C18H21N3O3S — CID 20941979

IUPACN-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-15-8-6-14(7-9-15)21-11-10-19-17(18(21)23)25-12-16(22)20-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,20,22)
InChIKeyRZUIAXBSIZYDSA-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.39
Rot. Bonds6

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

N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 20941979) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID20941979
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1
InChIInChI=1S/C18H21N3O3S/c1-24-15-8-6-14(7-9-15)21-11-10-19-17(18(21)23)25-12-16(22)20-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,20,22)
InChIKeyRZUIAXBSIZYDSA-UHFFFAOYSA-N
XLogP2.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide
CID 7386513
N-cyclopentyl-2-[4-(3-fluoro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579474
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16824572
2-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 16824551
N-(2-ethylphenyl)-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 7246389
N-(3,5-dimethoxyphenyl)-2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 18579515
N-cyclopentyl-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443656
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 18579522
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
2-[4-(3-chloro-4-fluorophenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 18579425
N-(2-methoxyphenyl)-2-[4-(4-methylphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 16956698

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 20941979) is N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1.
What is the InChIKey of N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is RZUIAXBSIZYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-15-8-6-14(7-9-15)21-11-10-19-17(18(21)23)25-12-16(22)20-13-4-2-3-5-13/h6-11,13H,2-5,12H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20941979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).