N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

C18H15F3N2O3S — CID 55369154

IUPACN,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-6-16(22-9-13)27-12-17(24)23(10-14-3-1-7-25-14)11-15-4-2-8-26-15/h1-9H,10-12H2
InChIKeyBFINDKYNPCLHEE-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.61
Rot. Bonds7

About N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide

N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 55369154) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID55369154
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC NameN,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccco1)Cc1ccco1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-6-16(22-9-13)27-12-17(24)23(10-14-3-1-7-25-14)11-15-4-2-8-26-15/h1-9H,10-12H2
InChIKeyBFINDKYNPCLHEE-UHFFFAOYSA-N
XLogP4.61
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide (CID 55369154) is N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(C(F)(F)F)cn1)N(Cc1ccco1)Cc1ccco1.
What is the InChIKey of N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is BFINDKYNPCLHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c19-18(20,21)13-5-6-16(22-9-13)27-12-17(24)23(10-14-3-1-7-25-14)11-15-4-2-8-26-15/h1-9H,10-12H2.
What are the key properties of N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide?
N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(furan-2-ylmethyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 55369154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).