N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide

C14H13BrN2O2S — CID 84558483

IUPACN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-20-8-9-2-4-10(5-3-9)13(18)17-12-6-11(15)7-16-14(12)19/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyUJJXVPRBNUCZOI-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.25
Rot. Bonds4

About N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 84558483) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
PubChem CID84558483
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC NameN-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1
InChIInChI=1S/C14H13BrN2O2S/c1-20-8-9-2-4-10(5-3-9)13(18)17-12-6-11(15)7-16-14(12)19/h2-7H,8H2,1H3,(H,16,19)(H,17,18)
InChIKeyUJJXVPRBNUCZOI-UHFFFAOYSA-N
XLogP3.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
CID 84558594
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-methylphenyl)propanamide
CID 84558557
2-bromo-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 84559810
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 60588277
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 84558738
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
CID 119862463
N-(6-methyl-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 18107198
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
N-(3-bromo-5-fluoro-2-pyridinyl)-4-(methylsulfanylmethyl)benzamide
CID 110495864
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide (CID 84558483) is N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2cc(Br)c[nH]c2=O)cc1.
What is the InChIKey of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is UJJXVPRBNUCZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-20-8-9-2-4-10(5-3-9)13(18)17-12-6-11(15)7-16-14(12)19/h2-7H,8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide?
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 353.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 84558483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).