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

C17H17F2N3O2S — CID 7386658

IUPACN-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1
InChIInChI=1S/C17H17F2N3O2S/c18-13-6-5-12(9-14(13)19)22-8-7-20-16(17(22)24)25-10-15(23)21-11-3-1-2-4-11/h5-9,11H,1-4,10H2,(H,21,23)
InChIKeyQBXWKLRTAKMZIN-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.66
Rot. Bonds5

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

N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (PubChem CID 7386658) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
PubChem CID7386658
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1
InChIInChI=1S/C17H17F2N3O2S/c18-13-6-5-12(9-14(13)19)22-8-7-20-16(17(22)24)25-10-15(23)21-11-3-1-2-4-11/h5-9,11H,1-4,10H2,(H,21,23)
InChIKeyQBXWKLRTAKMZIN-UHFFFAOYSA-N
XLogP2.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide (CID 7386658) is N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is O=C(CSc1nccn(-c2ccc(F)c(F)c2)c1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
The InChIKey is QBXWKLRTAKMZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c18-13-6-5-12(9-14(13)19)22-8-7-20-16(17(22)24)25-10-15(23)21-11-3-1-2-4-11/h5-9,11H,1-4,10H2,(H,21,23).
What are the key properties of N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide?
N-cyclopentyl-2-[4-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide has a molecular weight of 365.41 g/mol, XLogP of 2.66, 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-(3,4-difluorophenyl)-3-oxopyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 7386658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).