2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide

C15H12BrCl2NOS — CID 30666834

IUPAC2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2NOS/c16-11-6-4-10(5-7-11)8-21-9-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeyOBWYBHVMLGZJRB-UHFFFAOYSA-N
MW405.14 g/mol
LogP5.63
Rot. Bonds5

About 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide

2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 30666834) has the molecular formula C15H12BrCl2NOS and a molecular weight of 405.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide
PubChem CID30666834
Molecular FormulaC15H12BrCl2NOS
Molecular Weight405.14 g/mol
Exact Mass402.92
IUPAC Name2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide
SMILESO=C(CSCc1ccc(Br)cc1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H12BrCl2NOS/c16-11-6-4-10(5-7-11)8-21-9-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20)
InChIKeyOBWYBHVMLGZJRB-UHFFFAOYSA-N
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.14
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415
2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 1248119
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
methyl 3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 8785569
2-[(4-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 112781729
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
N-(4-bromo-2-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309874
(2R)-2-amino-3-[2-(2,6-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141294
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
N-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 2272588
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide (CID 30666834) is 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide is O=C(CSCc1ccc(Br)cc1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is OBWYBHVMLGZJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NOS/c16-11-6-4-10(5-7-11)8-21-9-14(20)19-15-12(17)2-1-3-13(15)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide?
2-[(4-bromophenyl)methylsulfanyl]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 405.14 g/mol, XLogP of 5.63, 5 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-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 30666834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).