N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

C12H12N4O3S — CID 2592841

IUPACN-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NCc1ccco1
InChIInChI=1S/C12H12N4O3S/c17-10(8-20-12-13-4-2-5-14-12)16-11(18)15-7-9-3-1-6-19-9/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKeyYFMWUOHGRHITCU-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.19
Rot. Bonds5

About N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2592841) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2592841
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC(=O)NCc1ccco1
InChIInChI=1S/C12H12N4O3S/c17-10(8-20-12-13-4-2-5-14-12)16-11(18)15-7-9-3-1-6-19-9/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKeyYFMWUOHGRHITCU-UHFFFAOYSA-N
XLogP1.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2592841) is N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is YFMWUOHGRHITCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-10(8-20-12-13-4-2-5-14-12)16-11(18)15-7-9-3-1-6-19-9/h1-6H,7-8H2,(H2,15,16,17,18).
What are the key properties of N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 292.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2592841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).