2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide

C28H22N4OS — CID 172560802

IUPAC2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C28H22N4OS/c33-28(18-20-6-2-1-3-7-20)30-22-9-12-23(13-10-22)34-24-14-15-25-26(31-32-27(25)19-24)16-11-21-8-4-5-17-29-21/h1-17,19H,18H2,(H,30,33)(H,31,32)/b16-11+
InChIKeyVSPNHAHJUCXTPD-LFIBNONCSA-N
MW462.58 g/mol
LogP6.46
Rot. Bonds7

About 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide

2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide (PubChem CID 172560802) has the molecular formula C28H22N4OS and a molecular weight of 462.58 g/mol. Its IUPAC name is 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
PubChem CID172560802
Molecular FormulaC28H22N4OS
Molecular Weight462.58 g/mol
Exact Mass462.15
IUPAC Name2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1
InChIInChI=1S/C28H22N4OS/c33-28(18-20-6-2-1-3-7-20)30-22-9-12-23(13-10-22)34-24-14-15-25-26(31-32-27(25)19-24)16-11-21-8-4-5-17-29-21/h1-17,19H,18H2,(H,30,33)(H,31,32)/b16-11+
InChIKeyVSPNHAHJUCXTPD-LFIBNONCSA-N
XLogP6.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134142551
N-(4-methylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134152183
8-oxo-8-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]anilino]octanoic acid
CID 68894241
N-(2,6-diethylphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134131702
N'-hydroxy-N-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]octanediamide
CID 25225083
N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
CID 175129584
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
CID 155514174
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134156557
N-(3-hydroxyphenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134144265
N-(3-acetamidophenyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134137011
methyl 7-oxo-7-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]anilino]heptanoate
CID 162325055

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?
The IUPAC name of 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide (CID 172560802) is 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(Sc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1.
What is the InChIKey of 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?
The InChIKey is VSPNHAHJUCXTPD-LFIBNONCSA-N. The full InChI is InChI=1S/C28H22N4OS/c33-28(18-20-6-2-1-3-7-20)30-22-9-12-23(13-10-22)34-24-14-15-25-26(31-32-27(25)19-24)16-11-21-8-4-5-17-29-21/h1-17,19H,18H2,(H,30,33)(H,31,32)/b16-11+.
What are the key properties of 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide?
2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide has a molecular weight of 462.58 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide is sourced from PubChem (CID 172560802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).