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

C17H22N4O4S — CID 3244261

IUPACN-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1
InChIInChI=1S/C17H22N4O4S/c1-2-12-6-3-4-8-21(12)15(22)11-26-17-20-19-14(25-17)10-18-16(23)13-7-5-9-24-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,18,23)
InChIKeySDLSEBFTXZMWGQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.48
Rot. Bonds7

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

N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (PubChem CID 3244261) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
PubChem CID3244261
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
SMILESCCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1
InChIInChI=1S/C17H22N4O4S/c1-2-12-6-3-4-8-21(12)15(22)11-26-17-20-19-14(25-17)10-18-16(23)13-7-5-9-24-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,18,23)
InChIKeySDLSEBFTXZMWGQ-UHFFFAOYSA-N
XLogP2.48
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide (CID 3244261) is N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1.
What is the InChIKey of N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is SDLSEBFTXZMWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-12-6-3-4-8-21(12)15(22)11-26-17-20-19-14(25-17)10-18-16(23)13-7-5-9-24-13/h5,7,9,12H,2-4,6,8,10-11H2,1H3,(H,18,23).
What are the key properties of N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide?
N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 3244261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).