N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide

C17H16BrFN2O2S — CID 134016970

IUPACN-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFN2O2S/c1-11(22)20-14-4-6-15(7-5-14)21-17(23)10-24-9-12-2-3-13(18)8-16(12)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySDJDRDRGFGRXKL-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.42
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide

N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 134016970) has the molecular formula C17H16BrFN2O2S and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
PubChem CID134016970
Molecular FormulaC17H16BrFN2O2S
Molecular Weight411.30 g/mol
Exact Mass410.01
IUPAC NameN-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSCc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFN2O2S/c1-11(22)20-14-4-6-15(7-5-14)21-17(23)10-24-9-12-2-3-13(18)8-16(12)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeySDJDRDRGFGRXKL-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 134016978
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100523985
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-N-phenylacetamide
CID 8968994
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-N-phenylacetamide
CID 25429308
N-(4-acetamidophenyl)-2-[(3,5-dimethylphenyl)methylsulfanyl]acetamide
CID 31549286
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 113218288
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]propanoic acid
CID 43385171
N-(3,4-difluorophenyl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 31087396

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide (CID 134016970) is N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSCc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is SDJDRDRGFGRXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2S/c1-11(22)20-14-4-6-15(7-5-14)21-17(23)10-24-9-12-2-3-13(18)8-16(12)19/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 411.30 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4-bromo-2-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 134016970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).