3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

C26H31N3O4S — CID 42837369

IUPAC3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3)n2)c1
InChIInChI=1S/C26H31N3O4S/c1-20-5-3-8-24(15-20)33-18-25-27-22(19-34-25)17-29(10-9-28-11-13-32-14-12-28)26(30)21-6-4-7-23(16-21)31-2/h3-8,15-16,19H,9-14,17-18H2,1-2H3
InChIKeyMHXJFKBXRRNBCS-UHFFFAOYSA-N
MW481.62 g/mol
LogP4.01
Rot. Bonds10

About 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide

3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42837369) has the molecular formula C26H31N3O4S and a molecular weight of 481.62 g/mol. Its IUPAC name is 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42837369
Molecular FormulaC26H31N3O4S
Molecular Weight481.62 g/mol
Exact Mass481.20
IUPAC Name3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3)n2)c1
InChIInChI=1S/C26H31N3O4S/c1-20-5-3-8-24(15-20)33-18-25-27-22(19-34-25)17-29(10-9-28-11-13-32-14-12-28)26(30)21-6-4-7-23(16-21)31-2/h3-8,15-16,19H,9-14,17-18H2,1-2H3
InChIKeyMHXJFKBXRRNBCS-UHFFFAOYSA-N
XLogP4.01
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 46008711
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-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 42682417
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 42682491
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 46008413
4-fluoro-N-(3-methoxypropyl)-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008783
3-methoxy-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819998
3-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008078
3-bromo-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46008723
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 46009373

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 42837369) is 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is COc1cccc(C(=O)N(CCN2CCOCC2)Cc2csc(COc3cccc(C)c3)n2)c1.
What is the InChIKey of 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MHXJFKBXRRNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4S/c1-20-5-3-8-24(15-20)33-18-25-27-22(19-34-25)17-29(10-9-28-11-13-32-14-12-28)26(30)21-6-4-7-23(16-21)31-2/h3-8,15-16,19H,9-14,17-18H2,1-2H3.
What are the key properties of 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 481.62 g/mol, XLogP of 4.01, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42837369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).