2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C18H20BrNOS — CID 30546775

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C18H20BrNOS/c1-3-15-8-4-6-13(2)18(15)20-17(21)12-22-11-14-7-5-9-16(19)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyHDSHSEOOSQZPHM-UHFFFAOYSA-N
MW378.34 g/mol
LogP5.19
Rot. Bonds6

About 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 30546775) has the molecular formula C18H20BrNOS and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID30546775
Molecular FormulaC18H20BrNOS
Molecular Weight378.34 g/mol
Exact Mass377.04
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C18H20BrNOS/c1-3-15-8-4-6-13(2)18(15)20-17(21)12-22-11-14-7-5-9-16(19)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyHDSHSEOOSQZPHM-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
2-[(3-bromophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7699280
2-[(3-bromophenyl)methylsulfanyl]-N-butylacetamide
CID 84603000
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 134064956
1-(3-bromophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108870117
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958
N-(2-ethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 8839292
1-[(3-bromophenyl)methylsulfanyl]-3-methylbutan-2-one
CID 58963747

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 30546775) is 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is HDSHSEOOSQZPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNOS/c1-3-15-8-4-6-13(2)18(15)20-17(21)12-22-11-14-7-5-9-16(19)10-14/h4-10H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 378.34 g/mol, XLogP of 5.19, 6 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-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 30546775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).