2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide

C22H18BrN3O3S — CID 55932705

IUPAC2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O3S/c23-16-6-8-18(9-7-16)30-21-19(5-2-10-24-21)20(27)25-14-15-3-1-4-17(13-15)26-11-12-29-22(26)28/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyQCJFIPWHZFDSDN-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.88
Rot. Bonds6

About 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide

2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55932705) has the molecular formula C22H18BrN3O3S and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55932705
Molecular FormulaC22H18BrN3O3S
Molecular Weight484.38 g/mol
Exact Mass483.03
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(N2CCOC2=O)c1)c1cccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O3S/c23-16-6-8-18(9-7-16)30-21-19(5-2-10-24-21)20(27)25-14-15-3-1-4-17(13-15)26-11-12-29-22(26)28/h1-10,13H,11-12,14H2,(H,25,27)
InChIKeyQCJFIPWHZFDSDN-UHFFFAOYSA-N
XLogP4.88
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide (CID 55932705) is 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(N2CCOC2=O)c1)c1cccnc1Sc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is QCJFIPWHZFDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O3S/c23-16-6-8-18(9-7-16)30-21-19(5-2-10-24-21)20(27)25-14-15-3-1-4-17(13-15)26-11-12-29-22(26)28/h1-10,13H,11-12,14H2,(H,25,27).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide?
2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 484.38 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55932705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).