N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide

C17H15FN4O3S2 — CID 3239677

IUPACN-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O3S2/c18-12-5-3-11(4-6-12)8-19-14(23)10-27-17-22-21-15(25-17)9-20-16(24)13-2-1-7-26-13/h1-7H,8-10H2,(H,19,23)(H,20,24)
InChIKeyNFPRFKQNURSGLB-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.61
Rot. Bonds8

About N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide

N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 3239677) has the molecular formula C17H15FN4O3S2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID3239677
Molecular FormulaC17H15FN4O3S2
Molecular Weight406.46 g/mol
Exact Mass406.06
IUPAC NameN-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCc1ccc(F)cc1
InChIInChI=1S/C17H15FN4O3S2/c18-12-5-3-11(4-6-12)8-19-14(23)10-27-17-22-21-15(25-17)9-20-16(24)13-2-1-7-26-13/h1-7H,8-10H2,(H,19,23)(H,20,24)
InChIKeyNFPRFKQNURSGLB-UHFFFAOYSA-N
XLogP2.61
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide (CID 3239677) is N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide is O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCc1ccc(F)cc1.
What is the InChIKey of N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is NFPRFKQNURSGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S2/c18-12-5-3-11(4-6-12)8-19-14(23)10-27-17-22-21-15(25-17)9-20-16(24)13-2-1-7-26-13/h1-7H,8-10H2,(H,19,23)(H,20,24).
What are the key properties of N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 3239677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).