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

C20H28N2O2S — CID 55689158

IUPACN-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C20H28N2O2S/c1-5-16(6-2)12-22(7-3)20(23)17-9-8-10-19(11-17)24-13-18-14-25-15(4)21-18/h8-11,14,16H,5-7,12-13H2,1-4H3
InChIKeyRKMZPKCKMZWNCT-UHFFFAOYSA-N
MW360.52 g/mol
LogP4.93
Rot. Bonds9

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

N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 55689158) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID55689158
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(OCc2csc(C)n2)c1
InChIInChI=1S/C20H28N2O2S/c1-5-16(6-2)12-22(7-3)20(23)17-9-8-10-19(11-17)24-13-18-14-25-15(4)21-18/h8-11,14,16H,5-7,12-13H2,1-4H3
InChIKeyRKMZPKCKMZWNCT-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 97324502
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
2-[2-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242448
N-[3-[ethylsulfonyl(methyl)amino]propyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55693772
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825259
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34764554
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119553161
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 55689158) is N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CCC(CC)CN(CC)C(=O)c1cccc(OCc2csc(C)n2)c1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is RKMZPKCKMZWNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-5-16(6-2)12-22(7-3)20(23)17-9-8-10-19(11-17)24-13-18-14-25-15(4)21-18/h8-11,14,16H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 360.52 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 55689158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).