3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide

C27H29N3O3S — CID 68779022

IUPAC3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(C(=O)NCc4cccnc4)c3)c2C1
InChIInChI=1S/C27H29N3O3S/c1-27(2)14-21-23(26(30-9-11-33-12-10-30)34-24(21)22(31)15-27)19-6-3-7-20(13-19)25(32)29-17-18-5-4-8-28-16-18/h3-8,13,16H,9-12,14-15,17H2,1-2H3,(H,29,32)
InChIKeyLRFPVFMVNIDWPL-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.73
Rot. Bonds5

About 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide

3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 68779022) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID68779022
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(C(=O)NCc4cccnc4)c3)c2C1
InChIInChI=1S/C27H29N3O3S/c1-27(2)14-21-23(26(30-9-11-33-12-10-30)34-24(21)22(31)15-27)19-6-3-7-20(13-19)25(32)29-17-18-5-4-8-28-16-18/h3-8,13,16H,9-12,14-15,17H2,1-2H3,(H,29,32)
InChIKeyLRFPVFMVNIDWPL-UHFFFAOYSA-N
XLogP4.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-ethylbenzamide
CID 68777775
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]acetamide
CID 68776372
N-[[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]methyl]methanesulfonamide
CID 68777437
N-[3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)phenyl]benzamide
CID 68775573
5,5-dimethyl-2-morpholin-4-yl-3-(3-phenylmethoxyphenyl)-4,6-dihydro-1-benzothiophen-7-one
CID 68775972
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
5,5-dimethyl-2-morpholin-4-yl-3-[2-[3-(piperidine-1-carbonyl)phenyl]-4-pyridinyl]-4,6-dihydro-1-benzothiophen-7-one
CID 68774667
1-[3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)phenyl]-3-[(1-methylimidazol-4-yl)methyl]urea
CID 68776656
N-[3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)phenyl]-1H-indole-3-carboxamide
CID 68778393
5,5-dimethyl-3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-2-morpholin-4-yl-4,6-dihydro-1-benzothiophen-7-one
CID 68774661
1-[3-[4-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-2-pyridinyl]phenyl]-3-piperidin-4-ylurea
CID 68776619

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 68779022) is 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide is CC1(C)CC(=O)c2sc(N3CCOCC3)c(-c3cccc(C(=O)NCc4cccnc4)c3)c2C1.
What is the InChIKey of 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LRFPVFMVNIDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-27(2)14-21-23(26(30-9-11-33-12-10-30)34-24(21)22(31)15-27)19-6-3-7-20(13-19)25(32)29-17-18-5-4-8-28-16-18/h3-8,13,16H,9-12,14-15,17H2,1-2H3,(H,29,32).
What are the key properties of 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 475.61 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethyl-2-morpholin-4-yl-7-oxo-4,6-dihydro-1-benzothiophen-3-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 68779022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).