N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide

C22H24N2O2S — CID 17034463

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c1-4-20(26-18-11-15(2)10-16(3)12-18)21(25)24-22-23-14-19(27-22)13-17-8-6-5-7-9-17/h5-12,14,20H,4,13H2,1-3H3,(H,23,24,25)
InChIKeyDJKJOVBZTADETJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.15
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide (PubChem CID 17034463) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
PubChem CID17034463
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c1-4-20(26-18-11-15(2)10-16(3)12-18)21(25)24-22-23-14-19(27-22)13-17-8-6-5-7-9-17/h5-12,14,20H,4,13H2,1-3H3,(H,23,24,25)
InChIKeyDJKJOVBZTADETJ-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 132652022
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-benzyl-1,3-thiazol-2-yl)propanamide
CID 51583917
2-(3,5-dimethylphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 133162555
2-chloro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 4969220
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide (CID 17034463) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide?
The InChIKey is DJKJOVBZTADETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-4-20(26-18-11-15(2)10-16(3)12-18)21(25)24-22-23-14-19(27-22)13-17-8-6-5-7-9-17/h5-12,14,20H,4,13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide has a molecular weight of 380.51 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 17034463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).