2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide

C17H18BrNOS — CID 11164389

IUPAC2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide
SMILESCC(CSc1ccccc1)NC(=O)Cc1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-13(12-21-15-8-3-2-4-9-15)19-17(20)11-14-7-5-6-10-16(14)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyUZFLHWWMFCPJIG-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.29
Rot. Bonds6

About 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide

2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide (PubChem CID 11164389) has the molecular formula C17H18BrNOS and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide
PubChem CID11164389
Molecular FormulaC17H18BrNOS
Molecular Weight364.31 g/mol
Exact Mass363.03
IUPAC Name2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide
SMILESCC(CSc1ccccc1)NC(=O)Cc1ccccc1Br
InChIInChI=1S/C17H18BrNOS/c1-13(12-21-15-8-3-2-4-9-15)19-17(20)11-14-7-5-6-10-16(14)18/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyUZFLHWWMFCPJIG-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2-bromophenyl)acetyl]amino]-N,N-dimethylpropanamide
CID 95340452
N-[2-(2-bromophenyl)ethyl]-N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 11326795
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
2-methyl-N-[(2-methylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 86933457
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
(3S)-3-[(2-bromophenyl)methylamino]-4-methylpentanoic acid
CID 69229098
2-methyl-N-[2-(methylamino)propyl]-3-phenylsulfanylpropanamide;hydrochloride
CID 120830198
2-(2-bromophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 86813836
[4-(methylamino)-4-oxo-1-phenylsulfanylbutan-2-yl]carbamic acid
CID 69234846
N-[1-(4-bromophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 47106591
2-[acetyl(methyl)amino]-N-[(2R)-1-(2-bromophenyl)propan-2-yl]acetamide
CID 97087816

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide (CID 11164389) is 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide is CC(CSc1ccccc1)NC(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide?
The InChIKey is UZFLHWWMFCPJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNOS/c1-13(12-21-15-8-3-2-4-9-15)19-17(20)11-14-7-5-6-10-16(14)18/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide?
2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide has a molecular weight of 364.31 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-(1-phenylsulfanylpropan-2-yl)acetamide is sourced from PubChem (CID 11164389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).