N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide

C15H17N3O2S — CID 51234035

IUPACN-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ncccn1
InChIInChI=1S/C15H17N3O2S/c1-11(21-15-16-8-5-9-17-15)14(19)18-10-12-6-3-4-7-13(12)20-2/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyDALLOKRVQITPEY-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.28
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide

N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 51234035) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID51234035
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCOc1ccccc1CNC(=O)C(C)Sc1ncccn1
InChIInChI=1S/C15H17N3O2S/c1-11(21-15-16-8-5-9-17-15)14(19)18-10-12-6-3-4-7-13(12)20-2/h3-9,11H,10H2,1-2H3,(H,18,19)
InChIKeyDALLOKRVQITPEY-UHFFFAOYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 6546874
(2S)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8740303
N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 51236617
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 47119370
N-[(2-methoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78667490
N-[(2-methoxyphenyl)methyl]-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 46677166
N-[(2-methoxyphenyl)methyl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 18144418
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553075
(2S)-N-(3-methoxypropyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 39082461
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 8959734

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide (CID 51234035) is N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide is COc1ccccc1CNC(=O)C(C)Sc1ncccn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is DALLOKRVQITPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11(21-15-16-8-5-9-17-15)14(19)18-10-12-6-3-4-7-13(12)20-2/h3-9,11H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 303.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 51234035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).