N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C25H30N2O4S — CID 46418276

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1OCC
InChIInChI=1S/C25H30N2O4S/c1-5-29-21-11-9-8-10-20(21)25-27-19(16-32-25)15-24(28)26-17(4)18-12-13-22(30-6-2)23(14-18)31-7-3/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,28)
InChIKeyHZWAFTGYWCMATJ-UHFFFAOYSA-N
MW454.59 g/mol
LogP5.43
Rot. Bonds11

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46418276) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46418276
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1OCC
InChIInChI=1S/C25H30N2O4S/c1-5-29-21-11-9-8-10-20(21)25-27-19(16-32-25)15-24(28)26-17(4)18-12-13-22(30-6-2)23(14-18)31-7-3/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,28)
InChIKeyHZWAFTGYWCMATJ-UHFFFAOYSA-N
XLogP5.43
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55665872
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55486396
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46417790
2-[[2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16595013
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536784

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46418276) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCOc1ccc(C(C)NC(=O)Cc2csc(-c3ccccc3OCC)n2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is HZWAFTGYWCMATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-5-29-21-11-9-8-10-20(21)25-27-19(16-32-25)15-24(28)26-17(4)18-12-13-22(30-6-2)23(14-18)31-7-3/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 454.59 g/mol, XLogP of 5.43, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46418276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).