N-(4-bromophenyl)-3-methylsulfanylpropanamide

C10H12BrNOS — CID 43082407

IUPACN-(4-bromophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNOS/c1-14-7-6-10(13)12-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyXROMOZLTMUHZAE-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.14
Rot. Bonds4

About N-(4-bromophenyl)-3-methylsulfanylpropanamide

N-(4-bromophenyl)-3-methylsulfanylpropanamide (PubChem CID 43082407) has the molecular formula C10H12BrNOS and a molecular weight of 274.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-methylsulfanylpropanamide
PubChem CID43082407
Molecular FormulaC10H12BrNOS
Molecular Weight274.18 g/mol
Exact Mass272.98
IUPAC NameN-(4-bromophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNOS/c1-14-7-6-10(13)12-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyXROMOZLTMUHZAE-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
CID 9342917
2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
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N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
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N-(4-bromophenyl)-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111344180
N-(4-bromophenyl)-4-methylpentanamide
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3-methylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
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N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(4-bromophenyl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanamide
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N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
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2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-3-methylsulfanylpropanamide (CID 43082407) is N-(4-bromophenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-methylsulfanylpropanamide?
The InChIKey is XROMOZLTMUHZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNOS/c1-14-7-6-10(13)12-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-(4-bromophenyl)-3-methylsulfanylpropanamide?
N-(4-bromophenyl)-3-methylsulfanylpropanamide has a molecular weight of 274.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 43082407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).