N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

C20H15ClN4O4S — CID 53163802

IUPACN-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H15ClN4O4S/c1-11(22-19(27)15-3-2-9-28-15)18(26)23-14-8-10-30-16(14)20-24-17(25-29-20)12-4-6-13(21)7-5-12/h2-11H,1H3,(H,22,27)(H,23,26)
InChIKeyZDPLBYPAYJMYEY-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.47
Rot. Bonds6

About N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 53163802) has the molecular formula C20H15ClN4O4S and a molecular weight of 442.88 g/mol. Its IUPAC name is N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID53163802
Molecular FormulaC20H15ClN4O4S
Molecular Weight442.88 g/mol
Exact Mass442.05
IUPAC NameN-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C20H15ClN4O4S/c1-11(22-19(27)15-3-2-9-28-15)18(26)23-14-8-10-30-16(14)20-24-17(25-29-20)12-4-6-13(21)7-5-12/h2-11H,1H3,(H,22,27)(H,23,26)
InChIKeyZDPLBYPAYJMYEY-UHFFFAOYSA-N
XLogP4.47
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2R)-1-[[2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 95100433
N-[1-[[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]benzamide
CID 53163789
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 6459013
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]cyclopropanecarboxamide
CID 53163806
N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]-2-methylbenzamide
CID 53163764
2-chloro-5-fluoro-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]benzamide
CID 53163782
N-[(1S)-1-[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95086855
1-(4-chlorophenyl)-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90607712
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-(furan-2-yl)propan-2-yl]benzamide
CID 92865777
N-[(1R)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 98234869
N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 53163802) is N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is CC(NC(=O)c1ccco1)C(=O)Nc1ccsc1-c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is ZDPLBYPAYJMYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O4S/c1-11(22-19(27)15-3-2-9-28-15)18(26)23-14-8-10-30-16(14)20-24-17(25-29-20)12-4-6-13(21)7-5-12/h2-11H,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 442.88 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-3-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 53163802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).