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

C21H22N2O3S — CID 17034116

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H22N2O3S/c1-3-17(26-19-12-8-7-11-18(19)25-2)20(24)23-21-22-14-16(27-21)13-15-9-5-4-6-10-15/h4-12,14,17H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyOSOORJFQOUZDLB-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.54
Rot. Bonds8

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

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide (PubChem CID 17034116) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
PubChem CID17034116
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H22N2O3S/c1-3-17(26-19-12-8-7-11-18(19)25-2)20(24)23-21-22-14-16(27-21)13-15-9-5-4-6-10-15/h4-12,14,17H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyOSOORJFQOUZDLB-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034463
(2S)-2-(2-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100536622
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-3-methyl-2-phenylpentanamide
CID 58033028
(2R)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
CID 100622325
(2S)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyphenoxy)butanamide
CID 100622346
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 42999638
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 17033979

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide (CID 17034116) is N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide?
The InChIKey is OSOORJFQOUZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-17(26-19-12-8-7-11-18(19)25-2)20(24)23-21-22-14-16(27-21)13-15-9-5-4-6-10-15/h4-12,14,17H,3,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide has a molecular weight of 382.49 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 17034116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).