2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide

C21H16N4O2S — CID 162666219

IUPAC2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C21H16N4O2S/c1-2-19(26)22-17-6-4-3-5-16(17)21(27)23-20-15-8-7-13(11-18(15)24-25-20)14-9-10-28-12-14/h2-12H,1H2,(H,22,26)(H2,23,24,25,27)
InChIKeyYKTUPVGMKSCLTO-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.67
Rot. Bonds5

About 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide

2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide (PubChem CID 162666219) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide
PubChem CID162666219
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide
SMILESC=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C21H16N4O2S/c1-2-19(26)22-17-6-4-3-5-16(17)21(27)23-20-15-8-7-13(11-18(15)24-25-20)14-9-10-28-12-14/h2-12H,1H2,(H,22,26)(H2,23,24,25,27)
InChIKeyYKTUPVGMKSCLTO-UHFFFAOYSA-N
XLogP4.67
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide?
The IUPAC name of 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide (CID 162666219) is 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide.
What is the SMILES notation for 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide?
The canonical SMILES for 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide is C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12.
What is the InChIKey of 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide?
The InChIKey is YKTUPVGMKSCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-2-19(26)22-17-6-4-3-5-16(17)21(27)23-20-15-8-7-13(11-18(15)24-25-20)14-9-10-28-12-14/h2-12H,1H2,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide?
2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide has a molecular weight of 388.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)-N-(6-thiophen-3-yl-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 162666219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).