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

C15H17N3O3S — CID 135444473

IUPACN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-8-13(19)18-15(16-9)22-10(2)14(20)17-11-4-6-12(21-3)7-5-11/h4-8,10H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyJLBPKHFRVCADBL-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.21
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 135444473) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID135444473
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-8-13(19)18-15(16-9)22-10(2)14(20)17-11-4-6-12(21-3)7-5-11/h4-8,10H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyJLBPKHFRVCADBL-UHFFFAOYSA-N
XLogP2.21
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide (CID 135444473) is N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is COc1ccc(NC(=O)C(C)Sc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is JLBPKHFRVCADBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-8-13(19)18-15(16-9)22-10(2)14(20)17-11-4-6-12(21-3)7-5-11/h4-8,10H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide?
N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 319.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 135444473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).