2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

C20H25N3O2S — CID 11958408

IUPAC2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC
InChIInChI=1S/C20H25N3O2S/c1-3-5-12-23-20(25-4-2)17-9-8-15(14-18(17)22-23)19(24)21-11-10-16-7-6-13-26-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeySEKSMKDFRMLVRG-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.27
Rot. Bonds9

About 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide

2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (PubChem CID 11958408) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound Name2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
PubChem CID11958408
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide
SMILESCCCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC
InChIInChI=1S/C20H25N3O2S/c1-3-5-12-23-20(25-4-2)17-9-8-15(14-18(17)22-23)19(24)21-11-10-16-7-6-13-26-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24)
InChIKeySEKSMKDFRMLVRG-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-(cyclopropylmethyl)-3-ethoxyindazole-6-carboxamide
CID 11958407
2-butyl-3-ethoxy-N-(furan-2-ylmethyl)indazole-6-carboxamide
CID 11958393
3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
CID 71425610
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17473350
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
5-methyl-N-(2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51072498
N-butyl-4-[[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]methyl]benzamide
CID 111349462
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The IUPAC name of 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide (CID 11958408) is 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The canonical SMILES for 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is CCCCn1nc2cc(C(=O)NCCc3cccs3)ccc2c1OCC.
What is the InChIKey of 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
The InChIKey is SEKSMKDFRMLVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-5-12-23-20(25-4-2)17-9-8-15(14-18(17)22-23)19(24)21-11-10-16-7-6-13-26-16/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,24).
What are the key properties of 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide?
2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-ethoxy-N-(2-thiophen-2-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 11958408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).