N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide

C24H28N2O4S — CID 57411276

IUPACN-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
SMILESCCc1cc(OC(C)C)ccc1Oc1ncc(Oc2ccc(C(C)NC(C)=O)cc2)s1
InChIInChI=1S/C24H28N2O4S/c1-6-18-13-21(28-15(2)3)11-12-22(18)30-24-25-14-23(31-24)29-20-9-7-19(8-10-20)16(4)26-17(5)27/h7-16H,6H2,1-5H3,(H,26,27)
InChIKeyNZBPBQRKJVOKMX-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.27
Rot. Bonds9

About N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide

N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide (PubChem CID 57411276) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
PubChem CID57411276
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
SMILESCCc1cc(OC(C)C)ccc1Oc1ncc(Oc2ccc(C(C)NC(C)=O)cc2)s1
InChIInChI=1S/C24H28N2O4S/c1-6-18-13-21(28-15(2)3)11-12-22(18)30-24-25-14-23(31-24)29-20-9-7-19(8-10-20)16(4)26-17(5)27/h7-16H,6H2,1-5H3,(H,26,27)
InChIKeyNZBPBQRKJVOKMX-UHFFFAOYSA-N
XLogP6.27
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[[2-(2-chloro-4-pyrazin-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411396
N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide
CID 57411859
2-[4-[[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]acetaldehyde
CID 123414265
N-[2-[6-[(2-propan-2-yloxy-1,3-thiazol-5-yl)oxy]naphthalen-2-yl]ethyl]acetamide
CID 68759948
N-[(1S)-1-[4-(3-propan-2-yloxyphenyl)phenyl]ethyl]acetamide
CID 126448959
N-[1-[3-[2-(2-chloro-4-methoxyphenoxy)-1,3-thiazol-5-yl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 23648638
N-[(1R)-1-[4-[6-(4-propoxyphenoxy)-3-pyridinyl]phenyl]ethyl]acetamide
CID 45487729
2-methyl-N-[1-[3-[2-(4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]propanamide
CID 141350280
N-[1-[3-[2-[4-(2-methylpropylamino)phenoxy]-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]ethyl]acetamide
CID 141350287
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
N-[1-[4-(4-propan-2-yloxyphenoxy)phenoxy]propan-2-yl]acetamide;N-[(2S)-1-[4-(4-propan-2-yloxyphenoxy)phenoxy]propan-2-yl]acetamide;sulfane
CID 159823460
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The IUPAC name of N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide (CID 57411276) is N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The canonical SMILES for N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide is CCc1cc(OC(C)C)ccc1Oc1ncc(Oc2ccc(C(C)NC(C)=O)cc2)s1.
What is the InChIKey of N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
The InChIKey is NZBPBQRKJVOKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-6-18-13-21(28-15(2)3)11-12-22(18)30-24-25-14-23(31-24)29-20-9-7-19(8-10-20)16(4)26-17(5)27/h7-16H,6H2,1-5H3,(H,26,27).
What are the key properties of N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide?
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide is sourced from PubChem (CID 57411276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).