2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

C21H32N2O2S — CID 143030549

IUPAC2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCCC(C)c1ccc(OC(C)C(=O)NC2=NCCS2)c(C(C)(C)CC)c1
InChIInChI=1S/C21H32N2O2S/c1-7-14(3)16-9-10-18(17(13-16)21(5,6)8-2)25-15(4)19(24)23-20-22-11-12-26-20/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,22,23,24)
InChIKeyPGLNUBMNNGGPNB-UHFFFAOYSA-N
MW376.57 g/mol
LogP4.87
Rot. Bonds7

About 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide

2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (PubChem CID 143030549) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
PubChem CID143030549
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC Name2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
SMILESCCC(C)c1ccc(OC(C)C(=O)NC2=NCCS2)c(C(C)(C)CC)c1
InChIInChI=1S/C21H32N2O2S/c1-7-14(3)16-9-10-18(17(13-16)21(5,6)8-2)25-15(4)19(24)23-20-22-11-12-26-20/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,22,23,24)
InChIKeyPGLNUBMNNGGPNB-UHFFFAOYSA-N
XLogP4.87
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47248031
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-phenylpropanamide
CID 57085661
N-[5-acetyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-(4-butan-2-yl-2-tert-butylphenoxy)propanamide;ethane
CID 143030556
2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane
CID 143030582
(2R)-2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3,4-dimethoxyphenyl)propanamide
CID 26561785
2-(4-butan-2-ylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18097207
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-2-[4-(2,2-dimethylpropyl)-2-(2-methylbutan-2-yl)phenoxy]propanamide
CID 20576468
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 58676311
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]disulfanyl]phenyl]butanamide
CID 11828951
(2S)-N-[4-[(2S)-butan-2-yl]phenyl]-2-(4-chlorophenoxy)propanamide
CID 7935749
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
2-[1-(4-butan-2-ylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 42898417

Frequently Asked Questions

What is the IUPAC name of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide (CID 143030549) is 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is CCC(C)c1ccc(OC(C)C(=O)NC2=NCCS2)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
The InChIKey is PGLNUBMNNGGPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-7-14(3)16-9-10-18(17(13-16)21(5,6)8-2)25-15(4)19(24)23-20-22-11-12-26-20/h9-10,13-15H,7-8,11-12H2,1-6H3,(H,22,23,24).
What are the key properties of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide?
2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide has a molecular weight of 376.57 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 143030549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).