5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one

C22H23NO2S2 — CID 68773997

IUPAC5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one
SMILESCc1ccc2sc(-c3c(N4CCOCC4)sc4c3CC(C)CC4=O)cc2c1
InChIInChI=1S/C22H23NO2S2/c1-13-3-4-18-15(9-13)12-19(26-18)20-16-10-14(2)11-17(24)21(16)27-22(20)23-5-7-25-8-6-23/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyIEBVEGXCBXJVMA-UHFFFAOYSA-N
MW397.57 g/mol
LogP5.54
Rot. Bonds2

About 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one

5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one (PubChem CID 68773997) has the molecular formula C22H23NO2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one
PubChem CID68773997
Molecular FormulaC22H23NO2S2
Molecular Weight397.57 g/mol
Exact Mass397.12
IUPAC Name5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one
SMILESCc1ccc2sc(-c3c(N4CCOCC4)sc4c3CC(C)CC4=O)cc2c1
InChIInChI=1S/C22H23NO2S2/c1-13-3-4-18-15(9-13)12-19(26-18)20-16-10-14(2)11-17(24)21(16)27-22(20)23-5-7-25-8-6-23/h3-4,9,12,14H,5-8,10-11H2,1-2H3
InChIKeyIEBVEGXCBXJVMA-UHFFFAOYSA-N
XLogP5.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1-benzothiophen-2-yl)morpholine
CID 12539106
5-methyl-2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 11998448
4-[(5-methyl-1-benzothiophen-2-yl)methyl]morpholine
CID 117185317
5,5-dimethyl-3-[2-(3-methylphenyl)-4-pyridinyl]-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68776609
5,5-dimethyl-2-morpholin-4-yl-3-(5-phenyl-3-pyridinyl)-4,6-dihydro-1-benzothiophen-7-one
CID 24830826
3-(2-methoxyphenyl)-5,5-dimethyl-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68775814
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-ethylbenzamide
CID 68777775
9-methyl-3-morpholin-4-yl-2,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione
CID 135646723
5-methyl-2-morpholin-4-ylaniline
CID 18952141
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one?
The IUPAC name of 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one (CID 68773997) is 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one.
What is the SMILES notation for 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one?
The canonical SMILES for 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one is Cc1ccc2sc(-c3c(N4CCOCC4)sc4c3CC(C)CC4=O)cc2c1.
What is the InChIKey of 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one?
The InChIKey is IEBVEGXCBXJVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S2/c1-13-3-4-18-15(9-13)12-19(26-18)20-16-10-14(2)11-17(24)21(16)27-22(20)23-5-7-25-8-6-23/h3-4,9,12,14H,5-8,10-11H2,1-2H3.
What are the key properties of 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one?
5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one has a molecular weight of 397.57 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-methyl-1-benzothiophen-2-yl)-2-morpholin-4-yl-5,6-dihydro-4H-1-benzothiophen-7-one is sourced from PubChem (CID 68773997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).