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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Related Compounds

2-[(2,6-dichlorobenzyl)sulfanyl]-N-(pyridin-3-yl)acetamide
CID 951606
N-(2-chloro-3-pyridinyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2098997
2-[(2,6-dichlorophenyl)methyl]-N-[6-(trifluoromethyl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
CID 10048421
N1-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenyl-2-(2-pyridylthio)acetamide
CID 2726087
2-[(2Z)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-(2-chloropyridin-3-yl)acetamide
CID 2120748
2-[(2-chloro-6-fluorobenzyl)thio]-N-3-pyridinylacetamide
CID 2230067
2-[(3-Benzylquinoxalin-2-YL)sulfanyl]-N-[(2-chlorophenyl)methyl]acetamide
CID 16030467
N-(2,6-dichloro-3-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2341258
N-(2-chloropyridin-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616165
2-chloro-N-{2-[(4-methylphenyl)thio]pyridin-3-yl}benzamide
CID 2728417
2-[(2-chlorobenzyl)thio]-N-[2-(pyridin-2-ylthio)ethyl]acetamide
CID 4453669
N-(2-bromophenyl)-2-[3-(2-chlorophenyl)pyrazin-2-yl]sulfanyl-acetamide
CID 57328867

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).