N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

C18H13F2N3O2S — CID 135401758

IUPACN-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O2S/c19-13-7-6-12(8-14(13)20)21-17(25)10-26-18-22-15(9-16(24)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,23,24)
InChIKeyUZVGELHFAYSCTR-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.45
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135401758) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135401758
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC NameN-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2N3O2S/c19-13-7-6-12(8-14(13)20)21-17(25)10-26-18-22-15(9-16(24)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,23,24)
InChIKeyUZVGELHFAYSCTR-UHFFFAOYSA-N
XLogP3.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135401758) is N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is UZVGELHFAYSCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c19-13-7-6-12(8-14(13)20)21-17(25)10-26-18-22-15(9-16(24)23-18)11-4-2-1-3-5-11/h1-9H,10H2,(H,21,25)(H,22,23,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135401758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).