N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide

C23H19NO4S — CID 90097621

IUPACN-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3ccccc3C(=O)C21NC(=O)c1cccs1
InChIInChI=1S/C23H19NO4S/c1-13(2)14-9-10-17-18(12-14)28-23(27)16-7-4-3-6-15(16)20(25)22(17,23)24-21(26)19-8-5-11-29-19/h3-13,27H,1-2H3,(H,24,26)
InChIKeyQHLXURNNCKPAGN-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.93
Rot. Bonds3

About N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide

N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide (PubChem CID 90097621) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide
PubChem CID90097621
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC NameN-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide
SMILESCC(C)c1ccc2c(c1)OC1(O)c3ccccc3C(=O)C21NC(=O)c1cccs1
InChIInChI=1S/C23H19NO4S/c1-13(2)14-9-10-17-18(12-14)28-23(27)16-7-4-3-6-15(16)20(25)22(17,23)24-21(26)19-8-5-11-29-19/h3-13,27H,1-2H3,(H,24,26)
InChIKeyQHLXURNNCKPAGN-UHFFFAOYSA-N
XLogP3.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carbothioamide
CID 71488468
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-2-methoxybenzamide
CID 86716930
N-(4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-6-oxopyran-3-carboxamide
CID 138660855
N-(4b-hydroxy-1-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-9H-xanthene-9-carboxamide
CID 86716990
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)pyridine-4-carboxamide
CID 122592610
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3,5-dimethylbenzamide
CID 138660843
1-(ethylamino)-4b,9b-dihydroxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097669
N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-1H-benzimidazole-2-carboxamide
CID 138662082
[(4bR,9bR)-1-amino-7-[(1S)-1-cyclopropylethyl]-4b-hydroxy-10-oxoindeno[1,2-b][1]benzofuran-9b-yl]carbamic acid
CID 166790261
N-(4b-hydroxy-1-nitro-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86717072
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994
4b,9b-dihydroxy-2,3-dimethoxy-7-propan-2-ylindeno[1,2-b][1]benzofuran-10-one
CID 90097629

Frequently Asked Questions

What is the IUPAC name of N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide (CID 90097621) is N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)c3ccccc3C(=O)C21NC(=O)c1cccs1.
What is the InChIKey of N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide?
The InChIKey is QHLXURNNCKPAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c1-13(2)14-9-10-17-18(12-14)28-23(27)16-7-4-3-6-15(16)20(25)22(17,23)24-21(26)19-8-5-11-29-19/h3-13,27H,1-2H3,(H,24,26).
What are the key properties of N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide?
N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4b-hydroxy-10-oxo-7-propan-2-ylindeno[1,2-b][1]benzofuran-9b-yl)thiophene-2-carboxamide is sourced from PubChem (CID 90097621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).