4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

C21H22N2O2S — CID 108751389

IUPAC4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCOc3ccccc3C)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15-6-3-4-7-20(15)25-13-5-8-21(24)23-18-11-9-17(10-12-18)19-14-26-16(2)22-19/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,24)
InChIKeyLXRJYNSZQSGALA-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.22
Rot. Bonds7

About 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide

4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (PubChem CID 108751389) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
PubChem CID108751389
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CCCOc3ccccc3C)cc2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15-6-3-4-7-20(15)25-13-5-8-21(24)23-18-11-9-17(10-12-18)19-14-26-16(2)22-19/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,24)
InChIKeyLXRJYNSZQSGALA-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-phenylbutanamide
CID 2978695
2-(2-ethoxyphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 27167216
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-4-phenylbutanamide
CID 8534002
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
4-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 108760280
4-(2-methylphenoxy)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108762394
2-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 51239098
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108810165
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 84560731
2,2-dimethyl-N-[4-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-4-oxobutyl]propanamide
CID 32757711

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide (CID 108751389) is 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is Cc1nc(-c2ccc(NC(=O)CCCOc3ccccc3C)cc2)cs1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
The InChIKey is LXRJYNSZQSGALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15-6-3-4-7-20(15)25-13-5-8-21(24)23-18-11-9-17(10-12-18)19-14-26-16(2)22-19/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,23,24).
What are the key properties of 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide?
4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide has a molecular weight of 366.49 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 108751389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).