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

C24H28N2O3S — CID 108725435

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C24H28N2O3S/c1-4-29-22-11-7-19(15-23(22)28-3)8-12-24(27)25-14-13-18-5-9-20(10-6-18)21-16-30-17(2)26-21/h5-7,9-11,15-16H,4,8,12-14H2,1-3H3,(H,25,27)
InChIKeyRIRKNHFZWJQFSA-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.82
Rot. Bonds10

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

3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (PubChem CID 108725435) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
PubChem CID108725435
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
SMILESCCOc1ccc(CCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1OC
InChIInChI=1S/C24H28N2O3S/c1-4-29-22-11-7-19(15-23(22)28-3)8-12-24(27)25-14-13-18-5-9-20(10-6-18)21-16-30-17(2)26-21/h5-7,9-11,15-16H,4,8,12-14H2,1-3H3,(H,25,27)
InChIKeyRIRKNHFZWJQFSA-UHFFFAOYSA-N
XLogP4.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568218
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
2-(2-methoxyethoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 108725440
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
CID 119837231
2-(3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568180
4-(4-bromo-2-chlorophenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 108749707
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695901
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide (CID 108725435) is 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is CCOc1ccc(CCC(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
The InChIKey is RIRKNHFZWJQFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-4-29-22-11-7-19(15-23(22)28-3)8-12-24(27)25-14-13-18-5-9-20(10-6-18)21-16-30-17(2)26-21/h5-7,9-11,15-16H,4,8,12-14H2,1-3H3,(H,25,27).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide has a molecular weight of 424.57 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 108725435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).