N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide

C15H17N3OS — CID 47119370

IUPACN-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCc1ccc(CNC(=O)C(C)Sc2ncccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-11-4-6-13(7-5-11)10-18-14(19)12(2)20-15-16-8-3-9-17-15/h3-9,12H,10H2,1-2H3,(H,18,19)
InChIKeyAGFFNEIKFGRLOQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.58
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide

N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide (PubChem CID 47119370) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
PubChem CID47119370
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
SMILESCc1ccc(CNC(=O)C(C)Sc2ncccn2)cc1
InChIInChI=1S/C15H17N3OS/c1-11-4-6-13(7-5-11)10-18-14(19)12(2)20-15-16-8-3-9-17-15/h3-9,12H,10H2,1-2H3,(H,18,19)
InChIKeyAGFFNEIKFGRLOQ-UHFFFAOYSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(pyridin-4-ylmethyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 47408950
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 24600607
(2S)-N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 94814627
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 40803651
(2R)-N-[(4-methylphenyl)methyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738918
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
N-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide
CID 51234035
2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 18141096
(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
CID 51952068
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2R)-N-[(4-methylphenyl)methyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 27139796

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide (CID 47119370) is N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide is Cc1ccc(CNC(=O)C(C)Sc2ncccn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
The InChIKey is AGFFNEIKFGRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-4-6-13(7-5-11)10-18-14(19)12(2)20-15-16-8-3-9-17-15/h3-9,12H,10H2,1-2H3,(H,18,19).
What are the key properties of N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide?
N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide has a molecular weight of 287.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-pyrimidin-2-ylsulfanylpropanamide is sourced from PubChem (CID 47119370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).