N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide

C24H26N2O5S — CID 42837402

IUPACN-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H26N2O5S/c1-16-4-6-20(10-17(16)2)29-13-23-25-19(14-32-23)12-26(8-9-28-3)24(27)18-5-7-21-22(11-18)31-15-30-21/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3
InChIKeyMBRQXZLVMVWXPO-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.36
Rot. Bonds9

About N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide

N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 42837402) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID42837402
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide
SMILESCOCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H26N2O5S/c1-16-4-6-20(10-17(16)2)29-13-23-25-19(14-32-23)12-26(8-9-28-3)24(27)18-5-7-21-22(11-18)31-15-30-21/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3
InChIKeyMBRQXZLVMVWXPO-UHFFFAOYSA-N
XLogP4.36
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 42837395
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbenzamide
CID 42682491
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-2-methylbenzamide
CID 42682488
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 46008711
1-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(2-methoxyethyl)-3-(4-methylphenyl)urea
CID 42682581
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42822305
4-chloro-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42682409
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 46008919
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46008982
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]-4-methoxy-N-propan-2-ylbenzamide
CID 42837405
3-bromo-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46008910

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide (CID 42837402) is N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide is COCCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is MBRQXZLVMVWXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-4-6-20(10-17(16)2)29-13-23-25-19(14-32-23)12-26(8-9-28-3)24(27)18-5-7-21-22(11-18)31-15-30-21/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3.
What are the key properties of N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide?
N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42837402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).