N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

C16H15F2N3O2S2 — CID 3242574

IUPACN-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1
InChIInChI=1S/C16H15F2N3O2S2/c1-8-5-12-14(25-8)15(23)21(2)16(20-12)24-7-13(22)19-11-4-3-9(17)6-10(11)18/h3-4,6,8H,5,7H2,1-2H3,(H,19,22)
InChIKeyXDZNAPQOYBYPDF-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.83
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 3242574) has the molecular formula C16H15F2N3O2S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID3242574
Molecular FormulaC16H15F2N3O2S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC NameN-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1
InChIInChI=1S/C16H15F2N3O2S2/c1-8-5-12-14(25-8)15(23)21(2)16(20-12)24-7-13(22)19-11-4-3-9(17)6-10(11)18/h3-4,6,8H,5,7H2,1-2H3,(H,19,22)
InChIKeyXDZNAPQOYBYPDF-UHFFFAOYSA-N
XLogP2.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 3242574) is N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is XDZNAPQOYBYPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S2/c1-8-5-12-14(25-8)15(23)21(2)16(20-12)24-7-13(22)19-11-4-3-9(17)6-10(11)18/h3-4,6,8H,5,7H2,1-2H3,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(3,6-dimethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3242574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).