2-benzylsulfanyl-N-(2-bromophenyl)propanamide

C16H16BrNOS — CID 2890486

IUPAC2-benzylsulfanyl-N-(2-bromophenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNOS/c1-12(20-11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyGSBJZFSORHZNLV-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.71
Rot. Bonds5

About 2-benzylsulfanyl-N-(2-bromophenyl)propanamide

2-benzylsulfanyl-N-(2-bromophenyl)propanamide (PubChem CID 2890486) has the molecular formula C16H16BrNOS and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-bromophenyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-bromophenyl)propanamide
PubChem CID2890486
Molecular FormulaC16H16BrNOS
Molecular Weight350.28 g/mol
Exact Mass349.01
IUPAC Name2-benzylsulfanyl-N-(2-bromophenyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C16H16BrNOS/c1-12(20-11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19)
InChIKeyGSBJZFSORHZNLV-UHFFFAOYSA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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AZ12216052
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2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447
N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(2-fluorophenyl)-2-[(4-methylbenzyl)thio]acetamide
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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-(2-Bromo-4-methylphenyl)-3-phenylprop-2-enamide
CID 774831
2-[(4-methylbenzyl)sulfanyl]-N-phenylacetamide
CID 585002

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-bromophenyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-bromophenyl)propanamide (CID 2890486) is 2-benzylsulfanyl-N-(2-bromophenyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-bromophenyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-bromophenyl)propanamide is CC(SCc1ccccc1)C(=O)Nc1ccccc1Br.
What is the InChIKey of 2-benzylsulfanyl-N-(2-bromophenyl)propanamide?
The InChIKey is GSBJZFSORHZNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNOS/c1-12(20-11-13-7-3-2-4-8-13)16(19)18-15-10-6-5-9-14(15)17/h2-10,12H,11H2,1H3,(H,18,19).
What are the key properties of 2-benzylsulfanyl-N-(2-bromophenyl)propanamide?
2-benzylsulfanyl-N-(2-bromophenyl)propanamide has a molecular weight of 350.28 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-bromophenyl)propanamide is sourced from PubChem (CID 2890486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).