3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

C15H15BrN2OS — CID 47035598

IUPAC3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-11-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19)
InChIKeyOZUZVMWEXNGXRB-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.64
Rot. Bonds6

About 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 47035598) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
PubChem CID47035598
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCSc1ccccc1Br)NCc1ccccn1
InChIInChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-11-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19)
InChIKeyOZUZVMWEXNGXRB-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
N-(2-amino-2-methylpropyl)-3-(2-bromophenyl)sulfanylpropanamide;hydrochloride
CID 119627225
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-(2-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 47005105
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[2-[3-(2-bromophenyl)sulfanylpropanoylamino]ethyl]benzamide
CID 55706659
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
3-(2-bromophenyl)sulfanyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]propanamide
CID 49394136
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 35322613

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide (CID 47035598) is 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide is O=C(CCSc1ccccc1Br)NCc1ccccn1.
What is the InChIKey of 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is OZUZVMWEXNGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)20-10-8-15(19)18-11-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19).
What are the key properties of 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide?
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 351.27 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 47035598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).