N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C15H15ClFN3O2S — CID 135403812

IUPACN-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H15ClFN3O2S/c1-2-3-9-7-13(21)20-15(19-9)23-8-14(22)18-10-4-5-12(17)11(16)6-10/h4-7H,2-3,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyQFSNUVIPSIPWCM-UHFFFAOYSA-N
MW355.82 g/mol
LogP3.25
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135403812) has the molecular formula C15H15ClFN3O2S and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135403812
Molecular FormulaC15H15ClFN3O2S
Molecular Weight355.82 g/mol
Exact Mass355.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C15H15ClFN3O2S/c1-2-3-9-7-13(21)20-15(19-9)23-8-14(22)18-10-4-5-12(17)11(16)6-10/h4-7H,2-3,8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyQFSNUVIPSIPWCM-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135403812) is N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is QFSNUVIPSIPWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2S/c1-2-3-9-7-13(21)20-15(19-9)23-8-14(22)18-10-4-5-12(17)11(16)6-10/h4-7H,2-3,8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 355.82 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135403812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).