N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

C20H11F5N4O2S2 — CID 135433239

IUPACN-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H11F5N4O2S2/c21-11-4-3-9(6-12(11)22)26-15(30)8-33-19-28-17-16(18(31)29-19)10(20(23,24)25)7-13(27-17)14-2-1-5-32-14/h1-7H,8H2,(H,26,30)(H,27,28,29,31)
InChIKeyAUUPYCHYWBKMAE-UHFFFAOYSA-N
MW498.46 g/mol
LogP5.07
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide

N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135433239) has the molecular formula C20H11F5N4O2S2 and a molecular weight of 498.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135433239
Molecular FormulaC20H11F5N4O2S2
Molecular Weight498.46 g/mol
Exact Mass498.02
IUPAC NameN-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H11F5N4O2S2/c21-11-4-3-9(6-12(11)22)26-15(30)8-33-19-28-17-16(18(31)29-19)10(20(23,24)25)7-13(27-17)14-2-1-5-32-14/h1-7H,8H2,(H,26,30)(H,27,28,29,31)
InChIKeyAUUPYCHYWBKMAE-UHFFFAOYSA-N
XLogP5.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.46
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 135433239) is N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide is O=C(CSc1nc2nc(-c3cccs3)cc(C(F)(F)F)c2c(=O)[nH]1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is AUUPYCHYWBKMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N4O2S2/c21-11-4-3-9(6-12(11)22)26-15(30)8-33-19-28-17-16(18(31)29-19)10(20(23,24)25)7-13(27-17)14-2-1-5-32-14/h1-7H,8H2,(H,26,30)(H,27,28,29,31).
What are the key properties of N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 498.46 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135433239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).