2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

C20H16BrNO2S — CID 2117865

IUPAC2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16BrNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)
InChIKeyXLLBYORMTVPZJT-UHFFFAOYSA-N
MW414.32 g/mol
LogP5.97
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide

2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 2117865) has the molecular formula C20H16BrNO2S and a molecular weight of 414.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
PubChem CID2117865
Molecular FormulaC20H16BrNO2S
Molecular Weight414.32 g/mol
Exact Mass413.01
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
SMILESO=C(CSc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H16BrNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23)
InChIKeyXLLBYORMTVPZJT-UHFFFAOYSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.32
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide (CID 2117865) is 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is O=C(CSc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is XLLBYORMTVPZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO2S/c21-15-10-12-17(13-11-15)25-14-20(23)22-18-8-4-5-9-19(18)24-16-6-2-1-3-7-16/h1-13H,14H2,(H,22,23).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide?
2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 414.32 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2117865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).