N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

C22H19N3OS — CID 46886342

IUPACN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+
InChIKeyUDKDYWHGVWVLDY-MDZDMXLPSA-N
MW373.48 g/mol
LogP5.28
Rot. Bonds5

About N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide

N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 46886342) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID46886342
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESCc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1cccs1
InChIInChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+
InChIKeyUDKDYWHGVWVLDY-MDZDMXLPSA-N
XLogP5.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (CID 46886342) is N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is UDKDYWHGVWVLDY-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-12,14H,13H2,1H3,(H,23,26)(H,24,25)/b10-9+.
What are the key properties of N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 373.48 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46886342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).