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

C19H13F3N4O3S2 — CID 135415414

IUPACN-(furan-2-ylmethyl)-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)NCc1ccco1
InChIInChI=1S/C19H13F3N4O3S2/c20-19(21,22)11-7-12(13-4-2-6-30-13)24-16-15(11)17(28)26-18(25-16)31-9-14(27)23-8-10-3-1-5-29-10/h1-7H,8-9H2,(H,23,27)(H,24,25,26,28)
InChIKeyIAIQEWHNKXDVFR-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.07
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide (PubChem CID 135415414) has the molecular formula C19H13F3N4O3S2 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
PubChem CID135415414
Molecular FormulaC19H13F3N4O3S2
Molecular Weight466.47 g/mol
Exact Mass466.04
IUPAC NameN-(furan-2-ylmethyl)-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)NCc1ccco1
InChIInChI=1S/C19H13F3N4O3S2/c20-19(21,22)11-7-12(13-4-2-6-30-13)24-16-15(11)17(28)26-18(25-16)31-9-14(27)23-8-10-3-1-5-29-10/h1-7H,8-9H2,(H,23,27)(H,24,25,26,28)
InChIKeyIAIQEWHNKXDVFR-UHFFFAOYSA-N
XLogP4.07
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide (CID 135415414) is N-(furan-2-ylmethyl)-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-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-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)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
The InChIKey is IAIQEWHNKXDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S2/c20-19(21,22)11-7-12(13-4-2-6-30-13)24-16-15(11)17(28)26-18(25-16)31-9-14(27)23-8-10-3-1-5-29-10/h1-7H,8-9H2,(H,23,27)(H,24,25,26,28).
What are the key properties of N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide has a molecular weight of 466.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135415414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).