N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

C20H19N3OS — CID 46304873

IUPACN-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(Sc1cc(-c2ccccc2)ncn1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3OS/c1-15(20(24)21-13-16-8-4-2-5-9-16)25-19-12-18(22-14-23-19)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3,(H,21,24)
InChIKeyDFULSARXHWWFKK-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.94
Rot. Bonds6

About N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide

N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (PubChem CID 46304873) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
PubChem CID46304873
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
SMILESCC(Sc1cc(-c2ccccc2)ncn1)C(=O)NCc1ccccc1
InChIInChI=1S/C20H19N3OS/c1-15(20(24)21-13-16-8-4-2-5-9-16)25-19-12-18(22-14-23-19)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3,(H,21,24)
InChIKeyDFULSARXHWWFKK-UHFFFAOYSA-N
XLogP3.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
(2S)-N-benzyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152152
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345603
ethyl 4-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]benzoate
CID 46304876
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
N-[4-(dimethylsulfamoyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304878
(2R)-N-(2,5-dimethoxyphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42345655
(2R)-N-benzyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458626
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
(2S)-N-(benzylcarbamoyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
CID 8512732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The IUPAC name of N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide (CID 46304873) is N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide.
What is the SMILES notation for N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The canonical SMILES for N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is CC(Sc1cc(-c2ccccc2)ncn1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
The InChIKey is DFULSARXHWWFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-15(20(24)21-13-16-8-4-2-5-9-16)25-19-12-18(22-14-23-19)17-10-6-3-7-11-17/h2-12,14-15H,13H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide?
N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 46304873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).