N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

C18H19N3O2S — CID 7200105

IUPACN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)21-16(12-9-24-10-13(12)20-21)19-17(22)15-8-11-6-4-5-7-14(11)23-15/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyBTQSVGBEKAQDLP-UHFFFAOYSA-N
MW341.44 g/mol
LogP4.38
Rot. Bonds2

About N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 7200105) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID7200105
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2
InChIInChI=1S/C18H19N3O2S/c1-18(2,3)21-16(12-9-24-10-13(12)20-21)19-17(22)15-8-11-6-4-5-7-14(11)23-15/h4-8H,9-10H2,1-3H3,(H,19,22)
InChIKeyBTQSVGBEKAQDLP-UHFFFAOYSA-N
XLogP4.38
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 7200105) is N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is CC(C)(C)n1nc2c(c1NC(=O)c1cc3ccccc3o1)CSC2.
What is the InChIKey of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is BTQSVGBEKAQDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-18(2,3)21-16(12-9-24-10-13(12)20-21)19-17(22)15-8-11-6-4-5-7-14(11)23-15/h4-8H,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7200105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).