8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide

C22H25N3OS — CID 20963350

IUPAC8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC(C)C)cc1CC2
InChIInChI=1S/C22H25N3OS/c1-14(2)11-12-23-22(26)19-13-16-9-10-18-20(21(16)27-19)15(3)24-25(18)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3,(H,23,26)
InChIKeyXZKVSLLAFWAZBZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.78
Rot. Bonds5

About 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide

8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide (PubChem CID 20963350) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide
PubChem CID20963350
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide
SMILESCc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC(C)C)cc1CC2
InChIInChI=1S/C22H25N3OS/c1-14(2)11-12-23-22(26)19-13-16-9-10-18-20(21(16)27-19)15(3)24-25(18)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3,(H,23,26)
InChIKeyXZKVSLLAFWAZBZ-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide?
The IUPAC name of 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide (CID 20963350) is 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide.
What is the SMILES notation for 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide?
The canonical SMILES for 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide is Cc1nn(-c2ccccc2)c2c1-c1sc(C(=O)NCCC(C)C)cc1CC2.
What is the InChIKey of 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide?
The InChIKey is XZKVSLLAFWAZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-14(2)11-12-23-22(26)19-13-16-9-10-18-20(21(16)27-19)15(3)24-25(18)17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3,(H,23,26).
What are the key properties of 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide?
8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(3-methylbutyl)-6-phenyl-4,5-dihydrothieno[2,3-e]indazole-2-carboxamide is sourced from PubChem (CID 20963350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).