2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

C17H18BrNOS — CID 30560974

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1cccc(Br)c1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNOS/c18-16-8-4-7-15(11-16)12-21-13-17(20)19-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,19,20)
InChIKeyWOOVIAYGAUYKGT-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.04
Rot. Bonds7

About 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (PubChem CID 30560974) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
PubChem CID30560974
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
SMILESO=C(CSCc1cccc(Br)c1)NCCc1ccccc1
InChIInChI=1S/C17H18BrNOS/c18-16-8-4-7-15(11-16)12-21-13-17(20)19-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,19,20)
InChIKeyWOOVIAYGAUYKGT-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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Related Compounds

2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000
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2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
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N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
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2-[(4-cyanophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 51168797
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2-[(2-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 846734
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
sodium 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylacetate
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CID 94697083

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide (CID 30560974) is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is O=C(CSCc1cccc(Br)c1)NCCc1ccccc1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
The InChIKey is WOOVIAYGAUYKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c18-16-8-4-7-15(11-16)12-21-13-17(20)19-10-9-14-5-2-1-3-6-14/h1-8,11H,9-10,12-13H2,(H,19,20).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide?
2-[(3-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-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 30560974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).