2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

C19H18FN3O3S — CID 135952841

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccco1
InChIInChI=1S/C19H18FN3O3S/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8H,9-11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyYGMFVRJOAWYVIL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide

2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 135952841) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID135952841
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccco1
InChIInChI=1S/C19H18FN3O3S/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8H,9-11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyYGMFVRJOAWYVIL-UHFFFAOYSA-N
XLogP2.96
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 135952847
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
2-[2-[(4-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(2-methylpropyl)acetamide
CID 136616268
N-[(3-methoxyphenyl)methyl]-2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
CID 136616464
2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide
CID 4149966
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
N-[4-amino-2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]benzamide
CID 135714765
2-[2-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136616364
2-[2-[(3-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 136616524
2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135561969
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide (CID 135952841) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is Cc1nc(SCc2ccccc2F)[nH]c(=O)c1CC(=O)NCc1ccco1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YGMFVRJOAWYVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8H,9-11H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 135952841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).