N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

C21H22N2O3S — CID 134054636

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H22N2O3S/c1-15(19-9-4-5-10-20(19)25-3)23(2)21(24)16-7-6-8-18(11-16)26-12-17-13-27-14-22-17/h4-11,13-15H,12H2,1-3H3
InChIKeyAASFLHWPZQVOEW-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 134054636) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID134054636
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C21H22N2O3S/c1-15(19-9-4-5-10-20(19)25-3)23(2)21(24)16-7-6-8-18(11-16)26-12-17-13-27-14-22-17/h4-11,13-15H,12H2,1-3H3
InChIKeyAASFLHWPZQVOEW-UHFFFAOYSA-N
XLogP4.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)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

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55552254
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286556
N-(4-chloro-2,5-dimethoxyphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27006763
N-[(3S)-1-(dimethylamino)-4,4-dimethylpentan-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 95770520
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34804612
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39431921
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
[4-[2,2-dimethylpropanoyl(methyl)amino]phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 86911740
N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 43067592
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 134054636) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is COc1ccccc1C(C)N(C)C(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is AASFLHWPZQVOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15(19-9-4-5-10-20(19)25-3)23(2)21(24)16-7-6-8-18(11-16)26-12-17-13-27-14-22-17/h4-11,13-15H,12H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 134054636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).