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

C30H29N3O4S — CID 68761027

IUPAC3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1
InChIInChI=1S/C30H29N3O4S/c1-32(2)12-11-27(35)31-19-9-10-26-24(17-19)22-7-4-6-21(30(22)38-26)20-5-3-8-23-25(34)18-28(37-29(20)23)33-13-15-36-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,31,35)
InChIKeyOLFATSPNPOLXCS-UHFFFAOYSA-N
MW527.65 g/mol
LogP5.55
Rot. Bonds6

About 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide

3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (PubChem CID 68761027) has the molecular formula C30H29N3O4S and a molecular weight of 527.65 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
PubChem CID68761027
Molecular FormulaC30H29N3O4S
Molecular Weight527.65 g/mol
Exact Mass527.19
IUPAC Name3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
SMILESCN(C)CCC(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1
InChIInChI=1S/C30H29N3O4S/c1-32(2)12-11-27(35)31-19-9-10-26-24(17-19)22-7-4-6-21(30(22)38-26)20-5-3-8-23-25(34)18-28(37-29(20)23)33-13-15-36-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,31,35)
InChIKeyOLFATSPNPOLXCS-UHFFFAOYSA-N
XLogP5.55
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.65
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-morpholin-4-yl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68758196
tert-butyl 4-[[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]carbamoyl]piperidine-1-carboxylate
CID 90815880
(2S)-N-methyl-2-morpholin-4-yl-2-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide
CID 68797800
N-methyl-2-[(3R)-3-methylmorpholin-4-yl]-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]acetamide
CID 68792373
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
N,1-dimethyl-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]piperidine-3-carboxamide
CID 89004316
[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl] trifluoromethanesulfonate
CID 87563600
2-chloro-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 59752259
2-(2-hydroxyethylamino)-N-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]acetamide
CID 71817380

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide (CID 68761027) is 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is CN(C)CCC(=O)Nc1ccc2sc3c(-c4cccc5c(=O)cc(N6CCOCC6)oc45)cccc3c2c1.
What is the InChIKey of 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
The InChIKey is OLFATSPNPOLXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4S/c1-32(2)12-11-27(35)31-19-9-10-26-24(17-19)22-7-4-6-21(30(22)38-26)20-5-3-8-23-25(34)18-28(37-29(20)23)33-13-15-36-16-14-33/h3-10,17-18H,11-16H2,1-2H3,(H,31,35).
What are the key properties of 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide?
3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide has a molecular weight of 527.65 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[6-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-2-yl]propanamide is sourced from PubChem (CID 68761027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).