N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H17N3O4S — CID 5058790

IUPACN-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C14H17N3O4S/c1-2-4-10-12(19)16-14(17-13(10)20)22-8-11(18)15-7-9-5-3-6-21-9/h3,5-6H,2,4,7-8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyBVISEWYFZUIOFC-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.43
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 5058790) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID5058790
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O
InChIInChI=1S/C14H17N3O4S/c1-2-4-10-12(19)16-14(17-13(10)20)22-8-11(18)15-7-9-5-3-6-21-9/h3,5-6H,2,4,7-8H2,1H3,(H,15,18)(H2,16,17,19,20)
InChIKeyBVISEWYFZUIOFC-UHFFFAOYSA-N
XLogP1.43
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 5058790) is N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1c(O)nc(SCC(=O)NCc2ccco2)[nH]c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is BVISEWYFZUIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-2-4-10-12(19)16-14(17-13(10)20)22-8-11(18)15-7-9-5-3-6-21-9/h3,5-6H,2,4,7-8H2,1H3,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(4-hydroxy-6-oxo-5-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5058790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).