2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide

C32H31N3O5S — CID 68758201

IUPAC2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CCO1
InChIInChI=1S/C32H31N3O5S/c1-20-18-34(10-15-39-20)19-29(37)33-21-8-9-28-26(16-21)24-6-3-5-23(32(24)41-28)22-4-2-7-25-27(36)17-30(40-31(22)25)35-11-13-38-14-12-35/h2-9,16-17,20H,10-15,18-19H2,1H3,(H,33,37)/t20-/m0/s1
InChIKeyODGQVQPKPHBBKN-FQEVSTJZSA-N
MW569.68 g/mol
LogP5.32
Rot. Bonds5

About 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide

2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide (PubChem CID 68758201) has the molecular formula C32H31N3O5S and a molecular weight of 569.68 g/mol. Its IUPAC name is 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
PubChem CID68758201
Molecular FormulaC32H31N3O5S
Molecular Weight569.68 g/mol
Exact Mass569.20
IUPAC Name2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
SMILESC[C@H]1CN(CC(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CCO1
InChIInChI=1S/C32H31N3O5S/c1-20-18-34(10-15-39-20)19-29(37)33-21-8-9-28-26(16-21)24-6-3-5-23(32(24)41-28)22-4-2-7-25-27(36)17-30(40-31(22)25)35-11-13-38-14-12-35/h2-9,16-17,20H,10-15,18-19H2,1H3,(H,33,37)/t20-/m0/s1
InChIKeyODGQVQPKPHBBKN-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide?
The IUPAC name of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide (CID 68758201) is 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide is C[C@H]1CN(CC(=O)Nc2ccc3sc4c(-c5cccc6c(=O)cc(N7CCOCC7)oc56)cccc4c3c2)CCO1.
What is the InChIKey of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide?
The InChIKey is ODGQVQPKPHBBKN-FQEVSTJZSA-N. The full InChI is InChI=1S/C32H31N3O5S/c1-20-18-34(10-15-39-20)19-29(37)33-21-8-9-28-26(16-21)24-6-3-5-23(32(24)41-28)22-4-2-7-25-27(36)17-30(40-31(22)25)35-11-13-38-14-12-35/h2-9,16-17,20H,10-15,18-19H2,1H3,(H,33,37)/t20-/m0/s1.
What are the key properties of 2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide?
2-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide 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-[(2S)-2-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide is sourced from PubChem (CID 68758201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).