N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C19H19FN4O4S — CID 649154

IUPACN-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H19FN4O4S/c1-26-14-7-8-16(27-2)15(9-14)22-17(25)11-29-19-24-23-18(28-19)10-21-13-5-3-12(20)4-6-13/h3-9,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyHZDIXKWZWASKQT-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.57
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 649154) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID649154
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H19FN4O4S/c1-26-14-7-8-16(27-2)15(9-14)22-17(25)11-29-19-24-23-18(28-19)10-21-13-5-3-12(20)4-6-13/h3-9,21H,10-11H2,1-2H3,(H,22,25)
InChIKeyHZDIXKWZWASKQT-UHFFFAOYSA-N
XLogP3.57
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 649154) is N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is HZDIXKWZWASKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/c1-26-14-7-8-16(27-2)15(9-14)22-17(25)11-29-19-24-23-18(28-19)10-21-13-5-3-12(20)4-6-13/h3-9,21H,10-11H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 649154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).