N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide

C13H11N3O2S — CID 728064

IUPACN-(2-pyrimidin-2-ylsulfanylacetyl)benzamide
SMILESO=C(CSc1ncccn1)NC(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c17-11(9-19-13-14-7-4-8-15-13)16-12(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17,18)
InChIKeyDIEADJBGNMZLLX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.53
Rot. Bonds4

About N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide

N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide (PubChem CID 728064) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide.

Molecular Properties

Compound NameN-(2-pyrimidin-2-ylsulfanylacetyl)benzamide
PubChem CID728064
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(2-pyrimidin-2-ylsulfanylacetyl)benzamide
SMILESO=C(CSc1ncccn1)NC(=O)c1ccccc1
InChIInChI=1S/C13H11N3O2S/c17-11(9-19-13-14-7-4-8-15-13)16-12(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17,18)
InChIKeyDIEADJBGNMZLLX-UHFFFAOYSA-N
XLogP1.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide?
The IUPAC name of N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide (CID 728064) is N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide.
What is the SMILES notation for N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide?
The canonical SMILES for N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide is O=C(CSc1ncccn1)NC(=O)c1ccccc1.
What is the InChIKey of N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide?
The InChIKey is DIEADJBGNMZLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c17-11(9-19-13-14-7-4-8-15-13)16-12(18)10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17,18).
What are the key properties of N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide?
N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide has a molecular weight of 273.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrimidin-2-ylsulfanylacetyl)benzamide is sourced from PubChem (CID 728064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).