N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C21H15FN4O4S — CID 86942033

IUPACN-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C21H15FN4O4S/c22-14-8-6-13(7-9-14)19-25-21(31-26-19)24-18(27)12-30-16-4-1-3-15(11-16)23-20(28)17-5-2-10-29-17/h1-11H,12H2,(H,23,28)(H,24,25,26,27)
InChIKeyQOMHDECADBRWHK-UHFFFAOYSA-N
MW438.44 g/mol
LogP4.21
Rot. Bonds7

About N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 86942033) has the molecular formula C21H15FN4O4S and a molecular weight of 438.44 g/mol. Its IUPAC name is N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID86942033
Molecular FormulaC21H15FN4O4S
Molecular Weight438.44 g/mol
Exact Mass438.08
IUPAC NameN-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESO=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1nc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C21H15FN4O4S/c22-14-8-6-13(7-9-14)19-25-21(31-26-19)24-18(27)12-30-16-4-1-3-15(11-16)23-20(28)17-5-2-10-29-17/h1-11H,12H2,(H,23,28)(H,24,25,26,27)
InChIKeyQOMHDECADBRWHK-UHFFFAOYSA-N
XLogP4.21
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 86942033) is N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is O=C(COc1cccc(NC(=O)c2ccco2)c1)Nc1nc(-c2ccc(F)cc2)ns1.
What is the InChIKey of N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is QOMHDECADBRWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O4S/c22-14-8-6-13(7-9-14)19-25-21(31-26-19)24-18(27)12-30-16-4-1-3-15(11-16)23-20(28)17-5-2-10-29-17/h1-11H,12H2,(H,23,28)(H,24,25,26,27).
What are the key properties of N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 438.44 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).