3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide

C22H24N2O4S — CID 19220682

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O4S/c1-4-28-17-9-7-16(8-10-17)18-14-29-22(23-18)24-21(25)12-6-15-5-11-19(26-2)20(13-15)27-3/h5,7-11,13-14H,4,6,12H2,1-3H3,(H,23,24,25)
InChIKeyUQXYLBVFSDUDEI-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.80
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide

3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19220682) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19220682
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCOc1ccc(-c2csc(NC(=O)CCc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O4S/c1-4-28-17-9-7-16(8-10-17)18-14-29-22(23-18)24-21(25)12-6-15-5-11-19(26-2)20(13-15)27-3/h5,7-11,13-14H,4,6,12H2,1-3H3,(H,23,24,25)
InChIKeyUQXYLBVFSDUDEI-UHFFFAOYSA-N
XLogP4.80
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19226097
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
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2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-propylphenoxy)acetamide
CID 19178451
3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32622827
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2594353
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide
CID 3649680
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 108725435

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 19220682) is 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCOc1ccc(-c2csc(NC(=O)CCc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is UQXYLBVFSDUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-4-28-17-9-7-16(8-10-17)18-14-29-22(23-18)24-21(25)12-6-15-5-11-19(26-2)20(13-15)27-3/h5,7-11,13-14H,4,6,12H2,1-3H3,(H,23,24,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 412.51 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19220682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).