N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

C16H12F2N4O4S — CID 4274938

IUPACN-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O4S/c17-9-3-4-11(10(18)6-9)20-13(23)8-27-16-22-21-14(26-16)7-19-15(24)12-2-1-5-25-12/h1-6H,7-8H2,(H,19,24)(H,20,23)
InChIKeyUAWCIKTWOOKAQZ-UHFFFAOYSA-N
MW394.36 g/mol
LogP2.60
Rot. Bonds7

About N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide

N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 4274938) has the molecular formula C16H12F2N4O4S and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID4274938
Molecular FormulaC16H12F2N4O4S
Molecular Weight394.36 g/mol
Exact Mass394.05
IUPAC NameN-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H12F2N4O4S/c17-9-3-4-11(10(18)6-9)20-13(23)8-27-16-22-21-14(26-16)7-19-15(24)12-2-1-5-25-12/h1-6H,7-8H2,(H,19,24)(H,20,23)
InChIKeyUAWCIKTWOOKAQZ-UHFFFAOYSA-N
XLogP2.60
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 4274938) is N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is O=C(CSc1nnc(CNC(=O)c2ccco2)o1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is UAWCIKTWOOKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O4S/c17-9-3-4-11(10(18)6-9)20-13(23)8-27-16-22-21-14(26-16)7-19-15(24)12-2-1-5-25-12/h1-6H,7-8H2,(H,19,24)(H,20,23).
What are the key properties of N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 394.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 4274938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).