N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide

C16H16BrNO2S — CID 9342917

IUPACN-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S/c1-21-11-10-16(19)18-13-4-8-15(9-5-13)20-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySOFOVVFANWGFDG-UHFFFAOYSA-N
MW366.28 g/mol
LogP4.93
Rot. Bonds6

About N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide

N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide (PubChem CID 9342917) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
PubChem CID9342917
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO2S/c1-21-11-10-16(19)18-13-4-8-15(9-5-13)20-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeySOFOVVFANWGFDG-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-methylsulfanylpropanamide
CID 43082407
2,2-dimethyl-N-[4-(3-methylsulfanylpropanoylamino)phenyl]propanamide
CID 24647281
N-[4-(2-hydroxy-3-phenoxypropoxy)phenyl]-3-methylsulfanylpropanamide
CID 10498811
N-(4-bromophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 544368
N-[4-(4-bromophenoxy)phenyl]-2-(4-chlorophenyl)acetamide
CID 4575386
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(4-bromophenoxy)phenyl]propanamide
CID 51512137
N-(4-bromophenyl)-3-[[N'-methyl-N-(2-methylsulfanylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111344180
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[4-[4-(heptanoylamino)phenoxy]phenyl]heptanamide
CID 3351099
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide (CID 9342917) is N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide?
The InChIKey is SOFOVVFANWGFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c1-21-11-10-16(19)18-13-4-8-15(9-5-13)20-14-6-2-12(17)3-7-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide?
N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide has a molecular weight of 366.28 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenoxy)phenyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 9342917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).