5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide

C28H21N3O3S — CID 134142757

IUPAC5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1
InChIInChI=1S/C28H21N3O3S/c1-18(32)26-14-15-27(35-26)28(33)29-20-8-5-9-21(16-20)34-22-11-12-23-24(30-31-25(23)17-22)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,29,33)(H,30,31)/b13-10+
InChIKeyFKWFXHUGTSJBSU-JLHYYAGUSA-N
MW479.56 g/mol
LogP7.04
Rot. Bonds7

About 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide

5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide (PubChem CID 134142757) has the molecular formula C28H21N3O3S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
PubChem CID134142757
Molecular FormulaC28H21N3O3S
Molecular Weight479.56 g/mol
Exact Mass479.13
IUPAC Name5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1
InChIInChI=1S/C28H21N3O3S/c1-18(32)26-14-15-27(35-26)28(33)29-20-8-5-9-21(16-20)34-22-11-12-23-24(30-31-25(23)17-22)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,29,33)(H,30,31)/b13-10+
InChIKeyFKWFXHUGTSJBSU-JLHYYAGUSA-N
XLogP7.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide (CID 134142757) is 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide is CC(=O)c1ccc(C(=O)Nc2cccc(Oc3ccc4c(/C=C/c5ccccc5)n[nH]c4c3)c2)s1.
What is the InChIKey of 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide?
The InChIKey is FKWFXHUGTSJBSU-JLHYYAGUSA-N. The full InChI is InChI=1S/C28H21N3O3S/c1-18(32)26-14-15-27(35-26)28(33)29-20-8-5-9-21(16-20)34-22-11-12-23-24(30-31-25(23)17-22)13-10-19-6-3-2-4-7-19/h2-17H,1H3,(H,29,33)(H,30,31)/b13-10+.
What are the key properties of 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide?
5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 7.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 134142757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).