N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide

C23H19N3O4S — CID 24570801

IUPACN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)o1
InChIInChI=1S/C23H19N3O4S/c1-15(27)24-13-19-11-12-21(30-19)20-14-31-23(25-20)26-22(28)16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyZVPSWRAHQCJYDK-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.08
Rot. Bonds7

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide (PubChem CID 24570801) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
PubChem CID24570801
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
SMILESCC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)o1
InChIInChI=1S/C23H19N3O4S/c1-15(27)24-13-19-11-12-21(30-19)20-14-31-23(25-20)26-22(28)16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,24,27)(H,25,26,28)
InChIKeyZVPSWRAHQCJYDK-UHFFFAOYSA-N
XLogP5.08
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 17398403
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylmethoxybenzamide
CID 24570707
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17406432
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 36540569
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42378438
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-ethoxy-4-methoxybenzamide
CID 42378203
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(4-tert-butylphenoxy)acetamide
CID 42378787
(E)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 27297928
N-[(2S)-1-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-4-tert-butylbenzamide
CID 36540505
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 119696349
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-chloro-3-methylsulfonylbenzamide
CID 43034345

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide (CID 24570801) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide.
What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide is CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)o1.
What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
The InChIKey is ZVPSWRAHQCJYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-15(27)24-13-19-11-12-21(30-19)20-14-31-23(25-20)26-22(28)16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,24,27)(H,25,26,28).
What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide?
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide has a molecular weight of 433.49 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-4-phenoxybenzamide is sourced from PubChem (CID 24570801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).