N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide

C13H13N3O2S — CID 2592856

IUPACN-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2ncccn2)c1
InChIInChI=1S/C13H13N3O2S/c1-18-11-5-2-4-10(8-11)16-12(17)9-19-13-14-6-3-7-15-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyVCRNBTDCXWZZPB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.22
Rot. Bonds5

About N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2592856) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2592856
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCOc1cccc(NC(=O)CSc2ncccn2)c1
InChIInChI=1S/C13H13N3O2S/c1-18-11-5-2-4-10(8-11)16-12(17)9-19-13-14-6-3-7-15-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyVCRNBTDCXWZZPB-UHFFFAOYSA-N
XLogP2.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide 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-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2592856) is N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is COc1cccc(NC(=O)CSc2ncccn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is VCRNBTDCXWZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-11-5-2-4-10(8-11)16-12(17)9-19-13-14-6-3-7-15-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 275.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2592856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).