N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide

C21H16ClN3OS — CID 44596229

IUPACN-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26)
InChIKeyFOZJCKDEDBHMLN-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.41
Rot. Bonds5

About N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide

N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide (PubChem CID 44596229) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
PubChem CID44596229
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC NameN-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Cl
InChIInChI=1S/C21H16ClN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26)
InChIKeyFOZJCKDEDBHMLN-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.41
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-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide (CID 44596229) is N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nccn1-c1cccc2ccccc12)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
The InChIKey is FOZJCKDEDBHMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-17-9-3-4-10-18(17)24-20(26)14-27-21-23-12-13-25(21)19-11-5-7-15-6-1-2-8-16(15)19/h1-13H,14H2,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide?
N-(2-chlorophenyl)-2-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide has a molecular weight of 393.90 g/mol, XLogP of 5.41, 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-(1-naphthalen-1-ylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 44596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).