2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C17H15FN4O3S — CID 18585434

IUPAC2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCn1c(=O)c2c(SCC(=O)Nc3ccccc3F)ccnc2n(C)c1=O
InChIInChI=1S/C17H15FN4O3S/c1-21-15-14(16(24)22(2)17(21)25)12(7-8-19-15)26-9-13(23)20-11-6-4-3-5-10(11)18/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyHAOOJUWALXOQOH-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 18585434) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID18585434
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCn1c(=O)c2c(SCC(=O)Nc3ccccc3F)ccnc2n(C)c1=O
InChIInChI=1S/C17H15FN4O3S/c1-21-15-14(16(24)22(2)17(21)25)12(7-8-19-15)26-9-13(23)20-11-6-4-3-5-10(11)18/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyHAOOJUWALXOQOH-UHFFFAOYSA-N
XLogP1.50
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 18585434) is 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is Cn1c(=O)c2c(SCC(=O)Nc3ccccc3F)ccnc2n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is HAOOJUWALXOQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-21-15-14(16(24)22(2)17(21)25)12(7-8-19-15)26-9-13(23)20-11-6-4-3-5-10(11)18/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 18585434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).