3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

C28H28N2O3S — CID 108747872

IUPAC3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1OC
InChIInChI=1S/C28H28N2O3S/c1-4-33-24-16-10-20(18-25(24)32-3)11-17-26(31)29-23-14-12-21(13-15-23)27-19(2)34-28(30-27)22-8-6-5-7-9-22/h5-10,12-16,18H,4,11,17H2,1-3H3,(H,29,31)
InChIKeyKSYSKZXZPGJTDQ-UHFFFAOYSA-N
MW472.61 g/mol
LogP6.76
Rot. Bonds9

About 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide

3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108747872) has the molecular formula C28H28N2O3S and a molecular weight of 472.61 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108747872
Molecular FormulaC28H28N2O3S
Molecular Weight472.61 g/mol
Exact Mass472.18
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESCCOc1ccc(CCC(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1OC
InChIInChI=1S/C28H28N2O3S/c1-4-33-24-16-10-20(18-25(24)32-3)11-17-26(31)29-23-14-12-21(13-15-23)27-19(2)34-28(30-27)22-8-6-5-7-9-22/h5-10,12-16,18H,4,11,17H2,1-3H3,(H,29,31)
InChIKeyKSYSKZXZPGJTDQ-UHFFFAOYSA-N
XLogP6.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 8880797
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N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
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4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
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2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
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3-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
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3-(4-ethoxy-3-methoxyphenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
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2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
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3-(3-amino-4-methoxyphenyl)-N-(4-ethoxyphenyl)propanamide
CID 39456651
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2091179
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108730938

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108747872) is 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is CCOc1ccc(CCC(=O)Nc2ccc(-c3nc(-c4ccccc4)sc3C)cc2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is KSYSKZXZPGJTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3S/c1-4-33-24-16-10-20(18-25(24)32-3)11-17-26(31)29-23-14-12-21(13-15-23)27-19(2)34-28(30-27)22-8-6-5-7-9-22/h5-10,12-16,18H,4,11,17H2,1-3H3,(H,29,31).
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide?
3-(4-ethoxy-3-methoxyphenyl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 472.61 g/mol, XLogP of 6.76, 9 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-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108747872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).