N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide

C18H13Cl2N3OS — CID 57328866

IUPACN-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24)
InChIKeyBRQSCUCSVMVQSC-UHFFFAOYSA-N
MW390.30 g/mol
LogP5.18
Rot. Bonds5

About N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide (PubChem CID 57328866) has the molecular formula C18H13Cl2N3OS and a molecular weight of 390.30 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide
PubChem CID57328866
Molecular FormulaC18H13Cl2N3OS
Molecular Weight390.30 g/mol
Exact Mass389.02
IUPAC NameN-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide
SMILESO=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1Cl
InChIInChI=1S/C18H13Cl2N3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24)
InChIKeyBRQSCUCSVMVQSC-UHFFFAOYSA-N
XLogP5.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide (CID 57328866) is N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide is O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide?
The InChIKey is BRQSCUCSVMVQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3OS/c19-13-6-2-1-5-12(13)17-18(22-10-9-21-17)25-11-16(24)23-15-8-4-3-7-14(15)20/h1-10H,11H2,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide has a molecular weight of 390.30 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanylacetamide is sourced from PubChem (CID 57328866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).