2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide

C19H14Br2N2OS — CID 123413758

IUPAC2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(Sc1ccc(Br)cc1)(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C19H14Br2N2OS/c20-14-6-9-16(10-7-14)25-19(18(22)24,13-4-2-1-3-5-13)17-11-8-15(21)12-23-17/h1-12H,(H2,22,24)
InChIKeyHMQHQMCZDUIHTE-UHFFFAOYSA-N
MW478.21 g/mol
LogP5.13
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide

2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide (PubChem CID 123413758) has the molecular formula C19H14Br2N2OS and a molecular weight of 478.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide
PubChem CID123413758
Molecular FormulaC19H14Br2N2OS
Molecular Weight478.21 g/mol
Exact Mass475.92
IUPAC Name2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide
SMILESNC(=O)C(Sc1ccc(Br)cc1)(c1ccccc1)c1ccc(Br)cn1
InChIInChI=1S/C19H14Br2N2OS/c20-14-6-9-16(10-7-14)25-19(18(22)24,13-4-2-1-3-5-13)17-11-8-15(21)12-23-17/h1-12H,(H2,22,24)
InChIKeyHMQHQMCZDUIHTE-UHFFFAOYSA-N
XLogP5.13
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.21
LogP ≤ 55.13
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-2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide (CID 123413758) is 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide is NC(=O)C(Sc1ccc(Br)cc1)(c1ccccc1)c1ccc(Br)cn1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
The InChIKey is HMQHQMCZDUIHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2OS/c20-14-6-9-16(10-7-14)25-19(18(22)24,13-4-2-1-3-5-13)17-11-8-15(21)12-23-17/h1-12H,(H2,22,24).
What are the key properties of 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide?
2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide has a molecular weight of 478.21 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-2-(5-bromo-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 123413758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).