N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide

C26H29N3O5S — CID 46008711

IUPACN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C26H29N3O5S/c1-19-3-2-4-22(13-19)32-16-25-27-21(17-35-25)15-29(8-7-28-9-11-31-12-10-28)26(30)20-5-6-23-24(14-20)34-18-33-23/h2-6,13-14,17H,7-12,15-16,18H2,1H3
InChIKeyYEEBGHOQVSVXJM-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.73
Rot. Bonds9

About N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 46008711) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID46008711
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C26H29N3O5S/c1-19-3-2-4-22(13-19)32-16-25-27-21(17-35-25)15-29(8-7-28-9-11-31-12-10-28)26(30)20-5-6-23-24(14-20)34-18-33-23/h2-6,13-14,17H,7-12,15-16,18H2,1H3
InChIKeyYEEBGHOQVSVXJM-UHFFFAOYSA-N
XLogP3.73
TPSA73.36 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 ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-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

3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42837369
3-bromo-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46008910
N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 46008195
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
CID 42837402
4-fluoro-N-(3-methoxypropyl)-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008783
2-methyl-N-(2-morpholin-4-ylethyl)-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 46008507
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
4-chloro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylbenzamide
CID 42682463
3-bromo-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46008723
4-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008746
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 46009373
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide (CID 46008711) is N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide is Cc1cccc(OCc2nc(CN(CCN3CCOCC3)C(=O)c3ccc4c(c3)OCO4)cs2)c1.
What is the InChIKey of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is YEEBGHOQVSVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-19-3-2-4-22(13-19)32-16-25-27-21(17-35-25)15-29(8-7-28-9-11-31-12-10-28)26(30)20-5-6-23-24(14-20)34-18-33-23/h2-6,13-14,17H,7-12,15-16,18H2,1H3.
What are the key properties of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide?
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46008711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).