2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C16H15BrFNOS — CID 2561652

IUPAC2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNOS/c1-11(12-2-6-14(18)7-3-12)19-16(20)10-21-15-8-4-13(17)5-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySCYFZCKKAUDYSN-LLVKDONJSA-N
MW368.27 g/mol
LogP4.56
Rot. Bonds5

About 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2561652) has the molecular formula C16H15BrFNOS and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID2561652
Molecular FormulaC16H15BrFNOS
Molecular Weight368.27 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15BrFNOS/c1-11(12-2-6-14(18)7-3-12)19-16(20)10-21-15-8-4-13(17)5-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeySCYFZCKKAUDYSN-LLVKDONJSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 2561652) is 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CSc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SCYFZCKKAUDYSN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15BrFNOS/c1-11(12-2-6-14(18)7-3-12)19-16(20)10-21-15-8-4-13(17)5-9-15/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 368.27 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2561652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).