N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

C16H15BrFNO2S — CID 8966479

IUPACN-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrFNO2S/c1-21-15-7-6-12(18)8-11(15)9-22-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyWRZBZUAMAYMNKI-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.47
Rot. Bonds6

About N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide

N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 8966479) has the molecular formula C16H15BrFNO2S and a molecular weight of 384.27 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID8966479
Molecular FormulaC16H15BrFNO2S
Molecular Weight384.27 g/mol
Exact Mass383.00
IUPAC NameN-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1ccc(F)cc1CSCC(=O)Nc1ccccc1Br
InChIInChI=1S/C16H15BrFNO2S/c1-21-15-7-6-12(18)8-11(15)9-22-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyWRZBZUAMAYMNKI-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8969240
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 8574543
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
2-[2-(2-bromoanilino)-2-oxoethyl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40913778
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide (CID 8966479) is N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is COc1ccc(F)cc1CSCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is WRZBZUAMAYMNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2S/c1-21-15-7-6-12(18)8-11(15)9-22-10-16(20)19-14-5-3-2-4-13(14)17/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide?
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 384.27 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 8966479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).