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

C19H23N3O3S — CID 20941973

IUPACN-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23)
InChIKeyVXMKFYPNLKHMIY-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.78
Rot. Bonds6

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

N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 20941973) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID20941973
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23)
InChIKeyVXMKFYPNLKHMIY-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 20941973) is N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc(SCC(=O)NC3CCCCC3)c2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is VXMKFYPNLKHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-16-9-7-15(8-10-16)22-12-11-20-18(19(22)24)26-13-17(23)21-14-5-3-2-4-6-14/h7-12,14H,2-6,13H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(4-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 20941973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).