5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide

C33H24N4O5 — CID 10460361

IUPAC5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5CC6CC67C5=CC(=O)c5ccccc57)cc4c3)cc2c1
InChIInChI=1S/C33H24N4O5/c1-17(38)34-21-7-9-28-19(11-21)13-29(42-28)31(40)35-22-6-8-25-18(10-22)12-26(36-25)32(41)37-16-20-15-33(20)24-5-3-2-4-23(24)27(39)14-30(33)37/h2-14,20,36H,15-16H2,1H3,(H,34,38)(H,35,40)
InChIKeyNCGHJJCOYZGRKD-UHFFFAOYSA-N
MW556.58 g/mol
LogP5.62
Rot. Bonds4

About 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide

5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 10460361) has the molecular formula C33H24N4O5 and a molecular weight of 556.58 g/mol. Its IUPAC name is 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID10460361
Molecular FormulaC33H24N4O5
Molecular Weight556.58 g/mol
Exact Mass556.17
IUPAC Name5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5CC6CC67C5=CC(=O)c5ccccc57)cc4c3)cc2c1
InChIInChI=1S/C33H24N4O5/c1-17(38)34-21-7-9-28-19(11-21)13-29(42-28)31(40)35-22-6-8-25-18(10-22)12-26(36-25)32(41)37-16-20-15-33(20)24-5-3-2-4-23(24)27(39)14-30(33)37/h2-14,20,36H,15-16H2,1H3,(H,34,38)(H,35,40)
InChIKeyNCGHJJCOYZGRKD-UHFFFAOYSA-N
XLogP5.62
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.58
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide (CID 10460361) is 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide is CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5CC6CC67C5=CC(=O)c5ccccc57)cc4c3)cc2c1.
What is the InChIKey of 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is NCGHJJCOYZGRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O5/c1-17(38)34-21-7-9-28-19(11-21)13-29(42-28)31(40)35-22-6-8-25-18(10-22)12-26(36-25)32(41)37-16-20-15-33(20)24-5-3-2-4-23(24)27(39)14-30(33)37/h2-14,20,36H,15-16H2,1H3,(H,34,38)(H,35,40).
What are the key properties of 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide?
5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 556.58 g/mol, XLogP of 5.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10460361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).