2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide

C19H15BrN2OS2 — CID 55811010

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1
InChIInChI=1S/C19H15BrN2OS2/c1-24-15-6-4-5-14(11-15)22-19(23)16-7-2-3-8-17(16)25-18-10-9-13(20)12-21-18/h2-12H,1H3,(H,22,23)
InChIKeyGLPSBGZRRADOII-UHFFFAOYSA-N
MW431.38 g/mol
LogP5.97
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 55811010) has the molecular formula C19H15BrN2OS2 and a molecular weight of 431.38 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID55811010
Molecular FormulaC19H15BrN2OS2
Molecular Weight431.38 g/mol
Exact Mass429.98
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1
InChIInChI=1S/C19H15BrN2OS2/c1-24-15-6-4-5-14(11-15)22-19(23)16-7-2-3-8-17(16)25-18-10-9-13(20)12-21-18/h2-12H,1H3,(H,22,23)
InChIKeyGLPSBGZRRADOII-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.38
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 55811408
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(4-methylsulfonylphenyl)benzamide
CID 52659798
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 56500163
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
CID 1020120
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-[(5-bromo-2-pyridinyl)sulfanyl]-N'-[3-(dimethylamino)benzoyl]benzohydrazide
CID 55966633
6-bromo-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide
CID 66462280
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
N-(3-methylsulfanylphenyl)pyrazine-2-carboxamide
CID 695407
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide (CID 55811010) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is GLPSBGZRRADOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2OS2/c1-24-15-6-4-5-14(11-15)22-19(23)16-7-2-3-8-17(16)25-18-10-9-13(20)12-21-18/h2-12H,1H3,(H,22,23).
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 431.38 g/mol, XLogP of 5.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 55811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).