2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide

C32H31N3O5S — CID 68758196

IUPAC2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
SMILESCC(C(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1
InChIInChI=1S/C32H31N3O5S/c1-20(34-10-14-38-15-11-34)32(37)33-21-8-9-28-26(18-21)24-6-3-5-23(31(24)41-28)22-4-2-7-25-27(36)19-29(40-30(22)25)35-12-16-39-17-13-35/h2-9,18-20H,10-17H2,1H3,(H,33,37)
InChIKeyOQPBYLJUYWATIM-UHFFFAOYSA-N
MW569.68 g/mol
LogP5.32
Rot. Bonds5

About 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide

2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (PubChem CID 68758196) has the molecular formula C32H31N3O5S and a molecular weight of 569.68 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
PubChem CID68758196
Molecular FormulaC32H31N3O5S
Molecular Weight569.68 g/mol
Exact Mass569.20
IUPAC Name2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
SMILESCC(C(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1
InChIInChI=1S/C32H31N3O5S/c1-20(34-10-14-38-15-11-34)32(37)33-21-8-9-28-26(18-21)24-6-3-5-23(31(24)41-28)22-4-2-7-25-27(36)19-29(40-30(22)25)35-12-16-39-17-13-35/h2-9,18-20H,10-17H2,1H3,(H,33,37)
InChIKeyOQPBYLJUYWATIM-UHFFFAOYSA-N
XLogP5.32
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.68
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68761027
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68761995
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68758201
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800
tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
CID 90815880
8-(7-methyldibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757057
8-(9-hydroxydibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757264
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
8-(6-chlorodibenzothiophen-4-yl)-2-morpholin-4-ylchromen-4-one
CID 54757263
N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
CID 89004316
N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68792373
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The IUPAC name of 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (CID 68758196) is 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The canonical SMILES for 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is CC(C(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The InChIKey is OQPBYLJUYWATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O5S/c1-20(34-10-14-38-15-11-34)32(37)33-21-8-9-28-26(18-21)24-6-3-5-23(31(24)41-28)22-4-2-7-25-27(36)19-29(40-30(22)25)35-12-16-39-17-13-35/h2-9,18-20H,10-17H2,1H3,(H,33,37).
What are the key properties of 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide has a molecular weight of 569.68 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is sourced from PubChem (CID 68758196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).