N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide

C23H23N3O2S — CID 69065496

IUPACN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)Cc3cccs3)n[nH]c2c1
InChIInChI=1S/C23H23N3O2S/c1-14(2)15-7-9-21(28-3)19(11-15)16-6-8-18-20(12-16)25-26-23(18)24-22(27)13-17-5-4-10-29-17/h4-12,14H,13H2,1-3H3,(H2,24,25,26,27)
InChIKeyXQDRDCQQEVLILB-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.60
Rot. Bonds6

About N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide

N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide (PubChem CID 69065496) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide
PubChem CID69065496
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide
SMILESCOc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)Cc3cccs3)n[nH]c2c1
InChIInChI=1S/C23H23N3O2S/c1-14(2)15-7-9-21(28-3)19(11-15)16-6-8-18-20(12-16)25-26-23(18)24-22(27)13-17-5-4-10-29-17/h4-12,14H,13H2,1-3H3,(H2,24,25,26,27)
InChIKeyXQDRDCQQEVLILB-UHFFFAOYSA-N
XLogP5.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]acetamide
CID 69062660
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 69065644
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenylmethoxyacetamide
CID 69064500
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]-2-phenoxypropanamide
CID 69070154
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766
N-[3-(3,4-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 42685691
[2-[[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]amino]-2-oxo-1-phenylethyl] acetate
CID 69070303
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 2971097
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
1-[6-(2-methoxyphenyl)-1H-indazol-3-yl]-3-(3-phenylpropyl)urea
CID 69061205
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 26723539

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide (CID 69065496) is N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide is COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)Cc3cccs3)n[nH]c2c1.
What is the InChIKey of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide?
The InChIKey is XQDRDCQQEVLILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-14(2)15-7-9-21(28-3)19(11-15)16-6-8-18-20(12-16)25-26-23(18)24-22(27)13-17-5-4-10-29-17/h4-12,14H,13H2,1-3H3,(H2,24,25,26,27).
What are the key properties of N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide?
N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide has a molecular weight of 405.52 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-propan-2-ylphenyl)-1H-indazol-3-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 69065496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).