N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

C15H13BrFNOS — CID 980077

IUPACN-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H13BrFNOS/c1-10-8-12(4-7-14(10)16)18-15(19)9-20-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFABRADWEAVOJJA-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.63
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide

N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 980077) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID980077
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H13BrFNOS/c1-10-8-12(4-7-14(10)16)18-15(19)9-20-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,18,19)
InChIKeyFABRADWEAVOJJA-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide (CID 980077) is N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is Cc1cc(NC(=O)CSc2ccc(F)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is FABRADWEAVOJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-10-8-12(4-7-14(10)16)18-15(19)9-20-13-5-2-11(17)3-6-13/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 354.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 980077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).