N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide

C13H11BrFNOS2 — CID 33295663

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrFNOS2/c14-12-6-5-9(19-12)7-16-13(17)8-18-11-4-2-1-3-10(11)15/h1-6H,7-8H2,(H,16,17)
InChIKeyPFAQKOYYBZITBK-UHFFFAOYSA-N
MW360.27 g/mol
LogP4.06
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 33295663) has the molecular formula C13H11BrFNOS2 and a molecular weight of 360.27 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID33295663
Molecular FormulaC13H11BrFNOS2
Molecular Weight360.27 g/mol
Exact Mass358.94
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)NCc1ccc(Br)s1
InChIInChI=1S/C13H11BrFNOS2/c14-12-6-5-9(19-12)7-16-13(17)8-18-11-4-2-1-3-10(11)15/h1-6H,7-8H2,(H,16,17)
InChIKeyPFAQKOYYBZITBK-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 33295663) is N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is PFAQKOYYBZITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNOS2/c14-12-6-5-9(19-12)7-16-13(17)8-18-11-4-2-1-3-10(11)15/h1-6H,7-8H2,(H,16,17).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 360.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 33295663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).