N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide

C27H24N2O4S — CID 138661018

IUPACN-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C27H24N2O4S/c1-3-15-11-12-17-20(13-15)33-27(32)18-8-6-9-19(28)22(18)24(30)26(17,27)29-25(31)23-14(2)16-7-4-5-10-21(16)34-23/h4-5,7-8,10-13,32H,3,6,9,28H2,1-2H3,(H,29,31)
InChIKeyINWKENKJLXKVLQ-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.99
Rot. Bonds3

About N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide

N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 138661018) has the molecular formula C27H24N2O4S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID138661018
Molecular FormulaC27H24N2O4S
Molecular Weight472.57 g/mol
Exact Mass472.15
IUPAC NameN-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide
SMILESCCc1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1sc2ccccc2c1C
InChIInChI=1S/C27H24N2O4S/c1-3-15-11-12-17-20(13-15)33-27(32)18-8-6-9-19(28)22(18)24(30)26(17,27)29-25(31)23-14(2)16-7-4-5-10-21(16)34-23/h4-5,7-8,10-13,32H,3,6,9,28H2,1-2H3,(H,29,31)
InChIKeyINWKENKJLXKVLQ-UHFFFAOYSA-N
XLogP3.99
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide (CID 138661018) is N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide is CCc1ccc2c(c1)OC1(O)C3=CCCC(N)=C3C(=O)C21NC(=O)c1sc2ccccc2c1C.
What is the InChIKey of N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is INWKENKJLXKVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4S/c1-3-15-11-12-17-20(13-15)33-27(32)18-8-6-9-19(28)22(18)24(30)26(17,27)29-25(31)23-14(2)16-7-4-5-10-21(16)34-23/h4-5,7-8,10-13,32H,3,6,9,28H2,1-2H3,(H,29,31).
What are the key properties of N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide?
N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-7-ethyl-4b-hydroxy-10-oxo-2,3-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 138661018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).