N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C23H26N2O3S2 — CID 24686006

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C23H26N2O3S2/c1-5-28-21-11-6-17(12-22(21)27-4)13-25(3)23(26)18-7-9-20(10-8-18)30-15-19-14-29-16(2)24-19/h6-12,14H,5,13,15H2,1-4H3
InChIKeyFFGFMHTYTIRZKX-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.42
Rot. Bonds9

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 24686006) has the molecular formula C23H26N2O3S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID24686006
Molecular FormulaC23H26N2O3S2
Molecular Weight442.61 g/mol
Exact Mass442.14
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C23H26N2O3S2/c1-5-28-21-11-6-17(12-22(21)27-4)13-25(3)23(26)18-7-9-20(10-8-18)30-15-19-14-29-16(2)24-19/h6-12,14H,5,13,15H2,1-4H3
InChIKeyFFGFMHTYTIRZKX-UHFFFAOYSA-N
XLogP5.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]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

3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 86878265
3-[(3-methoxy-4-propoxyphenyl)methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855095
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852315
2-[ethyl-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]acetic acid
CID 119205914
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
N-[1-(2-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 43042445
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 10424874
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 8991195

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 24686006) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is CCOc1ccc(CN(C)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is FFGFMHTYTIRZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S2/c1-5-28-21-11-6-17(12-22(21)27-4)13-25(3)23(26)18-7-9-20(10-8-18)30-15-19-14-29-16(2)24-19/h6-12,14H,5,13,15H2,1-4H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 442.61 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 24686006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).