N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C24H29N3O2S — CID 46438111

IUPACN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)N(C)C)cc1
InChIInChI=1S/C24H29N3O2S/c1-5-18-6-8-19(9-7-18)23(27(3)4)14-25-24(28)20-10-12-22(13-11-20)29-15-21-16-30-17(2)26-21/h6-13,16,23H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyLSNOVYYFILMYPL-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.63
Rot. Bonds9

About N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 46438111) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID46438111
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCc1ccc(C(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)N(C)C)cc1
InChIInChI=1S/C24H29N3O2S/c1-5-18-6-8-19(9-7-18)23(27(3)4)14-25-24(28)20-10-12-22(13-11-20)29-15-21-16-30-17(2)26-21/h6-13,16,23H,5,14-15H2,1-4H3,(H,25,28)
InChIKeyLSNOVYYFILMYPL-UHFFFAOYSA-N
XLogP4.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 24646432
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820
N-[1-(4-ethoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55473945
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2S)-2-piperidin-1-ylpropyl]benzamide
CID 51967020
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(2R)-2-piperidin-1-ylpropyl]benzamide
CID 51967018
N-[2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 45001600
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9470615
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 39961753
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 46438111) is N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CCc1ccc(C(CNC(=O)c2ccc(OCc3csc(C)n3)cc2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is LSNOVYYFILMYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-5-18-6-8-19(9-7-18)23(27(3)4)14-25-24(28)20-10-12-22(13-11-20)29-15-21-16-30-17(2)26-21/h6-13,16,23H,5,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 423.58 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 46438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).