N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C26H29N3O5S — CID 29195160

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4cccc(OC)c4o3)nc12
InChIInChI=1S/C26H29N3O5S/c1-3-33-19-8-5-10-22-23(19)27-26(35-22)29(12-6-11-28-13-15-32-16-14-28)25(30)21-17-18-7-4-9-20(31-2)24(18)34-21/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKeyUVFHILSZQJFHOT-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.82
Rot. Bonds9

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 29195160) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID29195160
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4cccc(OC)c4o3)nc12
InChIInChI=1S/C26H29N3O5S/c1-3-33-19-8-5-10-22-23(19)27-26(35-22)29(12-6-11-28-13-15-32-16-14-28)25(30)21-17-18-7-4-9-20(31-2)24(18)34-21/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKeyUVFHILSZQJFHOT-UHFFFAOYSA-N
XLogP4.82
TPSA77.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide 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

7-ethoxy-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195239
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998599
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069223
7-ethoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195248
7-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195171
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615556
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
CID 29195204
N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 30461854
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137576
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581651
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069208
3-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29069202

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 29195160) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is CCOc1cccc2sc(N(CCCN3CCOCC3)C(=O)c3cc4cccc(OC)c4o3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is UVFHILSZQJFHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-3-33-19-8-5-10-22-23(19)27-26(35-22)29(12-6-11-28-13-15-32-16-14-28)25(30)21-17-18-7-4-9-20(31-2)24(18)34-21/h4-5,7-10,17H,3,6,11-16H2,1-2H3.
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-7-methoxy-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29195160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).