N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide

C14H13BrN2OS — CID 106878206

IUPACN-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nccc(C)c2Br)cc1
InChIInChI=1S/C14H13BrN2OS/c1-9-7-8-16-14(13(9)15)19-12-5-3-11(4-6-12)17-10(2)18/h3-8H,1-2H3,(H,17,18)
InChIKeyWIYXDKOJYFXRCM-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.26
Rot. Bonds3

About N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide

N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide (PubChem CID 106878206) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
PubChem CID106878206
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC NameN-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2nccc(C)c2Br)cc1
InChIInChI=1S/C14H13BrN2OS/c1-9-7-8-16-14(13(9)15)19-12-5-3-11(4-6-12)17-10(2)18/h3-8H,1-2H3,(H,17,18)
InChIKeyWIYXDKOJYFXRCM-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
CID 106878334
N-[4-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 15743749
N-[4-(3-amino-4-methylphenyl)sulfanylphenyl]acetamide
CID 62910785
N-[4-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanylphenyl]acetamide
CID 63731436
N-[4-(5-aminopyrazin-2-yl)sulfanylphenyl]acetamide
CID 80664432
N-[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80893591
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22534268
N-(4-methylphenyl)acetamide
CID 7684
N-[4-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]phenyl]acetamide
CID 83123882
N-[4-[(6-propanoyl-3-pyridinyl)sulfanyl]phenyl]acetamide
CID 115939141

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide (CID 106878206) is N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2nccc(C)c2Br)cc1.
What is the InChIKey of N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
The InChIKey is WIYXDKOJYFXRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-9-7-8-16-14(13(9)15)19-12-5-3-11(4-6-12)17-10(2)18/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide?
N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide has a molecular weight of 337.24 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 106878206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).