N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

C20H19N3O2S — CID 135511507

IUPACN-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)21-19(25)14(2)26-20-22-17(12-18(24)23-20)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyDSSABWIXLHYFOQ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.86
Rot. Bonds5

About N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135511507) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135511507
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1ccc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)21-19(25)14(2)26-20-22-17(12-18(24)23-20)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyDSSABWIXLHYFOQ-UHFFFAOYSA-N
XLogP3.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135511507) is N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is Cc1ccc(NC(=O)C(C)Sc2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is DSSABWIXLHYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13-8-10-16(11-9-13)21-19(25)14(2)26-20-22-17(12-18(24)23-20)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 365.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135511507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).