2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

C26H31N3O2S — CID 112809765

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3OC)N3CCCC3)cs2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-19-10-12-20(13-11-19)26-28-21(18-32-26)16-25(30)27-17-23(29-14-6-7-15-29)22-8-4-5-9-24(22)31-2/h4-5,8-13,18,23H,3,6-7,14-17H2,1-2H3,(H,27,30)
InChIKeyVUPMKEZKWNCIDO-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.88
Rot. Bonds9

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 112809765) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID112809765
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3OC)N3CCCC3)cs2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-19-10-12-20(13-11-19)26-28-21(18-32-26)16-25(30)27-17-23(29-14-6-7-15-29)22-8-4-5-9-24(22)31-2/h4-5,8-13,18,23H,3,6-7,14-17H2,1-2H3,(H,27,30)
InChIKeyVUPMKEZKWNCIDO-UHFFFAOYSA-N
XLogP4.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide 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-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809737
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46540665
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
1-ethyl-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111832841
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46446899
2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49372484
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 112809765) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is CCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3OC)N3CCCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is VUPMKEZKWNCIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-3-19-10-12-20(13-11-19)26-28-21(18-32-26)16-25(30)27-17-23(29-14-6-7-15-29)22-8-4-5-9-24(22)31-2/h4-5,8-13,18,23H,3,6-7,14-17H2,1-2H3,(H,27,30).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 449.62 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 112809765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).