N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide

C35H27N3O3S — CID 89004553

IUPACN-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCCCC6)oc45)cccc3c2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C35H27N3O3S/c39-30-19-32(38-16-4-1-5-17-38)41-33-23(9-6-12-26(30)33)24-10-7-11-25-27-18-21(14-15-31(27)42-34(24)25)37-35(40)28-20-36-29-13-3-2-8-22(28)29/h2-3,6-15,18-20,36H,1,4-5,16-17H2,(H,37,40)
InChIKeyAMYSLKVCGRJMAM-UHFFFAOYSA-N
MW569.69 g/mol
LogP8.55
Rot. Bonds4

About N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide

N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide (PubChem CID 89004553) has the molecular formula C35H27N3O3S and a molecular weight of 569.69 g/mol. Its IUPAC name is N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide
PubChem CID89004553
Molecular FormulaC35H27N3O3S
Molecular Weight569.69 g/mol
Exact Mass569.18
IUPAC NameN-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCCCC6)oc45)cccc3c2c1)c1c[nH]c2ccccc12
InChIInChI=1S/C35H27N3O3S/c39-30-19-32(38-16-4-1-5-17-38)41-33-23(9-6-12-26(30)33)24-10-7-11-25-27-18-21(14-15-31(27)42-34(24)25)37-35(40)28-20-36-29-13-3-2-8-22(28)29/h2-3,6-15,18-20,36H,1,4-5,16-17H2,(H,37,40)
InChIKeyAMYSLKVCGRJMAM-UHFFFAOYSA-N
XLogP8.55
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.69
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide (CID 89004553) is N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide is O=C(Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCCCC6)oc45)cccc3c2c1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide?
The InChIKey is AMYSLKVCGRJMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O3S/c39-30-19-32(38-16-4-1-5-17-38)41-33-23(9-6-12-26(30)33)24-10-7-11-25-27-18-21(14-15-31(27)42-34(24)25)37-35(40)28-20-36-29-13-3-2-8-22(28)29/h2-3,6-15,18-20,36H,1,4-5,16-17H2,(H,37,40).
What are the key properties of N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide?
N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide has a molecular weight of 569.69 g/mol, XLogP of 8.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-oxo-2-piperidin-1-ylchromen-8-yl)dibenzothiophen-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 89004553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).