2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide

C15H14BrNOS — CID 875433

IUPAC2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C15H14BrNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18)
InChIKeyCSGOOKYCKHWZMV-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.32
Rot. Bonds5

About 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide

2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide (PubChem CID 875433) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide
PubChem CID875433
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1ccccc1Br)Nc1ccccc1
InChIInChI=1S/C15H14BrNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18)
InChIKeyCSGOOKYCKHWZMV-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylthio)-N-phenylacetamide
CID 584914
AZ12216052
CID 73755190
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
2-Benzylsulfanyl-N-p-tolyl-propionamide
CID 2888981
2-(benzylthio)-N-(4-fluorophenyl)propanamide
CID 2899728
2-[(4-fluorobenzyl)sulfanyl]-N-phenylacetamide
CID 573187
(2E)-N-(3-bromophenyl)-3-phenylprop-2-enamide
CID 874919
2-benzylsulfanyl-N-(2,4-difluorophenyl)acetamide
CID 563029
2-[(4-methylbenzyl)sulfanyl]-N-phenylacetamide
CID 585002

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide (CID 875433) is 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide is O=C(CSCc1ccccc1Br)Nc1ccccc1.
What is the InChIKey of 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is CSGOOKYCKHWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-14-9-5-4-6-12(14)10-19-11-15(18)17-13-7-2-1-3-8-13/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide?
2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 336.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 875433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).