N-(4-bromophenyl)-2-phenylsulfanylpropanamide

C15H14BrNOS — CID 2889443

IUPACN-(4-bromophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)
InChIKeySHYHOCFISRJXSQ-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.57
Rot. Bonds4

About N-(4-bromophenyl)-2-phenylsulfanylpropanamide

N-(4-bromophenyl)-2-phenylsulfanylpropanamide (PubChem CID 2889443) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-phenylsulfanylpropanamide
PubChem CID2889443
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(4-bromophenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H14BrNOS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18)
InChIKeySHYHOCFISRJXSQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Acetamidophenyl phenyl sulfide
CID 365383
N-(4-bromophenyl)thiophene-2-carboxamide
CID 531926
Acetamide, N-(4-(phenylthio)phenyl)-
CID 148713
N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
2-[(2-bromobenzyl)thio]-N-phenylacetamide
CID 875433
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)sulfonyl]propanamide
CID 4293410
N-(2-bromophenyl)-2-(cyclohexylthio)acetamide
CID 2914068
N-(4-Bromophenyl)propionamide
CID 346184
7-Bromo-2H-(1,4)-benzothiazin-3(4h)-one
CID 689065
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(4-bromo-2-methylphenyl)-3-phenylsulfanylpropanamide
CID 1252378

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2-phenylsulfanylpropanamide (CID 2889443) is N-(4-bromophenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-phenylsulfanylpropanamide?
The InChIKey is SHYHOCFISRJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-11(19-14-5-3-2-4-6-14)15(18)17-13-9-7-12(16)8-10-13/h2-11H,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-phenylsulfanylpropanamide?
N-(4-bromophenyl)-2-phenylsulfanylpropanamide has a molecular weight of 336.25 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2889443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).