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

C22H24N2O2S — CID 16568221

IUPAC2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-5-4-6-20(13-15)26-16(2)22(25)23-12-11-18-7-9-19(10-8-18)21-14-27-17(3)24-21/h4-10,13-14,16H,11-12H2,1-3H3,(H,23,25)
InChIKeyLTYXSEYKDRYKSR-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.55
Rot. Bonds7

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

2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (PubChem CID 16568221) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
PubChem CID16568221
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1
InChIInChI=1S/C22H24N2O2S/c1-15-5-4-6-20(13-15)26-16(2)22(25)23-12-11-18-7-9-19(10-8-18)21-14-27-17(3)24-21/h4-10,13-14,16H,11-12H2,1-3H3,(H,23,25)
InChIKeyLTYXSEYKDRYKSR-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-pyrazol-1-ylpropanamide
CID 134048772
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
2,3-dichloro-N-[1-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylamino]-1-oxopropan-2-yl]benzamide
CID 55788954
(2S)-2-(3,5-dimethylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 35343158
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (CID 16568221) is 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is Cc1cccc(OC(C)C(=O)NCCc2ccc(-c3csc(C)n3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The InChIKey is LTYXSEYKDRYKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-5-4-6-20(13-15)26-16(2)22(25)23-12-11-18-7-9-19(10-8-18)21-14-27-17(3)24-21/h4-10,13-14,16H,11-12H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide has a molecular weight of 380.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 16568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).