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

C14H15N3O2S — CID 7183928

IUPACN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAYRFSUJUBSZQEO-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.49
Rot. Bonds5

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

N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (PubChem CID 7183928) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
PubChem CID7183928
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide
SMILESCc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyAYRFSUJUBSZQEO-UHFFFAOYSA-N
XLogP1.49
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide (CID 7183928) is N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is Cc1cc(SCC(=O)NCc2ccccc2)nc(=O)[nH]1.
What is the InChIKey of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
The InChIKey is AYRFSUJUBSZQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-7-13(17-14(19)16-10)20-9-12(18)15-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide?
N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7183928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).