N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide

C12H16BrNOS — CID 71935204

IUPACN-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCc1ccccc1Br
InChIInChI=1S/C12H16BrNOS/c1-16-9-7-12(15)14-8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyIYVIAHWUWBYGPL-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide

N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide (PubChem CID 71935204) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
PubChem CID71935204
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCc1ccccc1Br
InChIInChI=1S/C12H16BrNOS/c1-16-9-7-12(15)14-8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyIYVIAHWUWBYGPL-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[2-(2-bromophenyl)ethylamino]-4-oxobutanoate
CID 115174690
cis-(1R,2S)-N-[2-(2-bromophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 95287116
(2S)-N-[2-(2-bromophenyl)ethyl]-2-(2,5-dioxopyrrol-1-yl)-4-methylsulfanylbutanamide
CID 125462744
4-[3-(2-bromophenyl)propanoylamino]butanoic acid
CID 75428748
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-[2-(2-bromophenyl)ethyl]-3-(cyanomethyl)urea
CID 108864921
1-[2-(2-bromophenyl)ethyl]-3-butylurea
CID 108888202
N-[(2-aminophenyl)methyl]-3-methylsulfanylpropanamide
CID 62057045
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide (CID 71935204) is N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide?
The InChIKey is IYVIAHWUWBYGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-16-9-7-12(15)14-8-6-10-4-2-3-5-11(10)13/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide?
N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide has a molecular weight of 302.24 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 71935204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).