2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide

C27H26N2O4S — CID 90895076

IUPAC2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
SMILESCCOc1ccc(C(C)C(=O)Nc2cccc(-c3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-33-23-13-11-19(12-14-23)17(2)25(30)28-22-6-4-5-21(16-22)20-9-7-18(8-10-20)15-24-26(31)29-27(32)34-24/h4-14,16-17,31H,3,15H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyGMTMVAMTVCRENS-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.54
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide

2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide (PubChem CID 90895076) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
PubChem CID90895076
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
SMILESCCOc1ccc(C(C)C(=O)Nc2cccc(-c3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-33-23-13-11-19(12-14-23)17(2)25(30)28-22-6-4-5-21(16-22)20-9-7-18(8-10-20)15-24-26(31)29-27(32)34-24/h4-14,16-17,31H,3,15H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyGMTMVAMTVCRENS-UHFFFAOYSA-N
XLogP5.54
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide
CID 91612828
5-[[4-[3-(3,5-diethoxyphenyl)phenoxy]phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91144260
5-[(4-hexoxyphenyl)methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 54287264
4-hydroxy-5-[[4-[3-[(E)-1-(4-phenylphenyl)ethylideneamino]oxypropoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91931263
4-hydroxy-5-[[4-(3-methylphenoxy)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934058
N-[3-(2-methylpropoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54781971
2-(4-ethoxyphenyl)-4-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55609741
1-(4-ethyl-2-pyridinyl)-3-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]urea
CID 91274410
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
CID 94278974
3-(4-ethyl-2-pyridinyl)-1-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]ethyl]-1-methylurea
CID 91139014
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide (CID 90895076) is 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide is CCOc1ccc(C(C)C(=O)Nc2cccc(-c3ccc(Cc4sc(=O)[nH]c4O)cc3)c2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide?
The InChIKey is GMTMVAMTVCRENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-3-33-23-13-11-19(12-14-23)17(2)25(30)28-22-6-4-5-21(16-22)20-9-7-18(8-10-20)15-24-26(31)29-27(32)34-24/h4-14,16-17,31H,3,15H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide?
2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide has a molecular weight of 474.58 g/mol, XLogP of 5.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 90895076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).