2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide

C31H29N3O5S — CID 11584859

IUPAC2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
InChIInChI=1S/C31H29N3O5S/c35-25-18-28(34-12-16-38-17-13-34)39-30-20(5-3-6-22(25)30)21-8-9-24(32-27(36)19-33-10-14-37-15-11-33)29-23-4-1-2-7-26(23)40-31(21)29/h1-9,18H,10-17,19H2,(H,32,36)
InChIKeyHOJWWKCYEAOCFA-UHFFFAOYSA-N
MW555.66 g/mol
LogP4.94
Rot. Bonds5

About 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide

2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide (PubChem CID 11584859) has the molecular formula C31H29N3O5S and a molecular weight of 555.66 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
PubChem CID11584859
Molecular FormulaC31H29N3O5S
Molecular Weight555.66 g/mol
Exact Mass555.18
IUPAC Name2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12
InChIInChI=1S/C31H29N3O5S/c35-25-18-28(34-12-16-38-17-13-34)39-30-20(5-3-6-22(25)30)21-8-9-24(32-27(36)19-33-10-14-37-15-11-33)29-23-4-1-2-7-26(23)40-31(21)29/h1-9,18H,10-17,19H2,(H,32,36)
InChIKeyHOJWWKCYEAOCFA-UHFFFAOYSA-N
XLogP4.94
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide (CID 11584859) is 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide is O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12.
What is the InChIKey of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?
The InChIKey is HOJWWKCYEAOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O5S/c35-25-18-28(34-12-16-38-17-13-34)39-30-20(5-3-6-22(25)30)21-8-9-24(32-27(36)19-33-10-14-37-15-11-33)29-23-4-1-2-7-26(23)40-31(21)29/h1-9,18H,10-17,19H2,(H,32,36).
What are the key properties of 2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide?
2-morpholin-4-yl-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide has a molecular weight of 555.66 g/mol, XLogP of 4.94, 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-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide is sourced from PubChem (CID 11584859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).