N-(2-bromophenyl)-3-phenylsulfanylpropanamide

C15H14BrNOS — CID 875277

IUPACN-(2-bromophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H14BrNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyQNGINKGIODXBQU-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.57
Rot. Bonds5

About N-(2-bromophenyl)-3-phenylsulfanylpropanamide

N-(2-bromophenyl)-3-phenylsulfanylpropanamide (PubChem CID 875277) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-phenylsulfanylpropanamide
PubChem CID875277
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC NameN-(2-bromophenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C15H14BrNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyQNGINKGIODXBQU-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(2-bromophenyl)-3-phenylsulfanylpropanamide (CID 875277) is N-(2-bromophenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(2-bromophenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-phenylsulfanylpropanamide?
The InChIKey is QNGINKGIODXBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-13-8-4-5-9-14(13)17-15(18)10-11-19-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of N-(2-bromophenyl)-3-phenylsulfanylpropanamide?
N-(2-bromophenyl)-3-phenylsulfanylpropanamide has a molecular weight of 336.25 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 875277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).