2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

C17H18BrNOS — CID 2219454

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNOS/c18-16-8-6-15(7-9-16)12-21-13-17(20)19-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyNNXHRQVMTVPVIO-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.04
Rot. Bonds7

About 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 2219454) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID2219454
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNOS/c18-16-8-6-15(7-9-16)12-21-13-17(20)19-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)
InChIKeyNNXHRQVMTVPVIO-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 2219454) is 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSCc1ccc(Br)cc1)NCCc1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is NNXHRQVMTVPVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c18-16-8-6-15(7-9-16)12-21-13-17(20)19-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide has a molecular weight of 364.31 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2219454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).