4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide

C26H30N2O4S — CID 126199401

IUPAC4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccc(OCC)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-7-23-25(19-10-14-21(15-11-19)32-6-3)28-26(33-23)27-24(30)17-16-22(29)18-8-12-20(13-9-18)31-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,27,28,30)
InChIKeyDMUWUAZQADAFRT-UHFFFAOYSA-N
MW466.60 g/mol
LogP6.16
Rot. Bonds12

About 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide

4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide (PubChem CID 126199401) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
PubChem CID126199401
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccc(OCC)cc1
InChIInChI=1S/C26H30N2O4S/c1-4-7-23-25(19-10-14-21(15-11-19)32-6-3)28-26(33-23)27-24(30)17-16-22(29)18-8-12-20(13-9-18)31-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,27,28,30)
InChIKeyDMUWUAZQADAFRT-UHFFFAOYSA-N
XLogP6.16
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220
N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 126203858
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
3-(methanesulfonamido)-N-[4-(4-methoxyphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 156586306
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide (CID 126199401) is 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccc(OCC)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The InChIKey is DMUWUAZQADAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-4-7-23-25(19-10-14-21(15-11-19)32-6-3)28-26(33-23)27-24(30)17-16-22(29)18-8-12-20(13-9-18)31-5-2/h8-15H,4-7,16-17H2,1-3H3,(H,27,28,30).
What are the key properties of 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide has a molecular weight of 466.60 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 126199401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).