N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C16H15BrFNOS — CID 1314534

IUPACN-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H15BrFNOS/c1-10-7-14(17)15(8-11(10)2)19-16(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyFYJQNYIYCCVCET-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.94
Rot. Bonds4

About N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 1314534) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID1314534
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC NameN-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ccc(F)cc2)cc1C
InChIInChI=1S/C16H15BrFNOS/c1-10-7-14(17)15(8-11(10)2)19-16(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyFYJQNYIYCCVCET-UHFFFAOYSA-N
XLogP4.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 1314534) is N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(Br)c(NC(=O)CSc2ccc(F)cc2)cc1C.
What is the InChIKey of N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is FYJQNYIYCCVCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-10-7-14(17)15(8-11(10)2)19-16(20)9-21-13-5-3-12(18)4-6-13/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 368.27 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 1314534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).