N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide

C11H14BrNOS — CID 135065354

IUPACN-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide
SMILESCSCC(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOS/c1-8(14)13-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)
InChIKeyXBOFPHURTWAGCS-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide

N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide (PubChem CID 135065354) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide
PubChem CID135065354
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide
SMILESCSCC(NC(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNOS/c1-8(14)13-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)
InChIKeyXBOFPHURTWAGCS-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
3-[[3-acetamido-3-(4-bromophenyl)propanoyl]-methylamino]propanoic acid
CID 119362579
3-acetamido-3-(4-bromophenyl)-N-(1,2-diphenylethyl)propanamide
CID 112773016
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
(2R)-2-[[3-acetamido-3-(4-bromophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 119363861
N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
CID 119403227
methyl (2R)-2-acetamido-2-(4-bromophenyl)acetate
CID 94813092
(2S)-2-acetamido-N-[(1R)-1-(4-bromophenyl)ethyl]pentanamide
CID 94033059

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide (CID 135065354) is N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide is CSCC(NC(C)=O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide?
The InChIKey is XBOFPHURTWAGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c1-8(14)13-11(7-15-2)9-3-5-10(12)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide?
N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide has a molecular weight of 288.21 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-methylsulfanylethyl]acetamide is sourced from PubChem (CID 135065354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).