2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide

C18H20ClN3O3S — CID 7386513

IUPAC2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-25-15-7-6-13(10-14(15)19)22-9-8-20-17(18(22)24)26-11-16(23)21-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,21,23)
InChIKeyXIAZWVUEUVTQQN-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.05
Rot. Bonds6

About 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide

2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 7386513) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID7386513
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1Cl
InChIInChI=1S/C18H20ClN3O3S/c1-25-15-7-6-13(10-14(15)19)22-9-8-20-17(18(22)24)26-11-16(23)21-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,21,23)
InChIKeyXIAZWVUEUVTQQN-UHFFFAOYSA-N
XLogP3.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide (CID 7386513) is 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide is COc1ccc(-n2ccnc(SCC(=O)NC3CCCC3)c2=O)cc1Cl.
What is the InChIKey of 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is XIAZWVUEUVTQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-25-15-7-6-13(10-14(15)19)22-9-8-20-17(18(22)24)26-11-16(23)21-12-4-2-3-5-12/h6-10,12H,2-5,11H2,1H3,(H,21,23).
What are the key properties of 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide?
2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 393.90 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 7386513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).