N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide

C18H16F2N4O3S — CID 7424288

IUPACN-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16F2N4O3S/c1-9-7-21-16-14(17(26)24(3)18(27)23(16)2)15(9)28-8-13(25)22-12-5-4-10(19)6-11(12)20/h4-7H,8H2,1-3H3,(H,22,25)
InChIKeyDZQVTDBWIRPPER-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.95
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide (PubChem CID 7424288) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
PubChem CID7424288
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC NameN-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide
SMILESCc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1F)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H16F2N4O3S/c1-9-7-21-16-14(17(26)24(3)18(27)23(16)2)15(9)28-8-13(25)22-12-5-4-10(19)6-11(12)20/h4-7H,8H2,1-3H3,(H,22,25)
InChIKeyDZQVTDBWIRPPER-UHFFFAOYSA-N
XLogP1.95
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide (CID 7424288) is N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide is Cc1cnc2c(c1SCC(=O)Nc1ccc(F)cc1F)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
The InChIKey is DZQVTDBWIRPPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c1-9-7-21-16-14(17(26)24(3)18(27)23(16)2)15(9)28-8-13(25)22-12-5-4-10(19)6-11(12)20/h4-7H,8H2,1-3H3,(H,22,25).
What are the key properties of N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide has a molecular weight of 406.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanylacetamide is sourced from PubChem (CID 7424288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).