N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide

C26H32N2O3S — CID 59232774

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C26H32N2O3S/c1-25(2,3)21-16-32-24(27-21)28-23(29)26(4,5)22(17-8-12-19(30-6)13-9-17)18-10-14-20(31-7)15-11-18/h8-16,22H,1-7H3,(H,27,28,29)
InChIKeyQFFUSSPEYKBTNU-UHFFFAOYSA-N
MW452.62 g/mol
LogP6.25
Rot. Bonds7

About N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 59232774) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
PubChem CID59232774
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide
SMILESCOc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1
InChIInChI=1S/C26H32N2O3S/c1-25(2,3)21-16-32-24(27-21)28-23(29)26(4,5)22(17-8-12-19(30-6)13-9-17)18-10-14-20(31-7)15-11-18/h8-16,22H,1-7H3,(H,27,28,29)
InChIKeyQFFUSSPEYKBTNU-UHFFFAOYSA-N
XLogP6.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(2-methoxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232831
3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
CID 87453170
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-fluoro-4-methoxybenzamide
CID 32995528
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methoxybenzamide
CID 42995916
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872729
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 87453165
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanamide;2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 159006128
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
3-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methoxypropanamide
CID 114145061
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232782

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide (CID 59232774) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide is COc1ccc(C(c2ccc(OC)cc2)C(C)(C)C(=O)Nc2nc(C(C)(C)C)cs2)cc1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is QFFUSSPEYKBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-25(2,3)21-16-32-24(27-21)28-23(29)26(4,5)22(17-8-12-19(30-6)13-9-17)18-10-14-20(31-7)15-11-18/h8-16,22H,1-7H3,(H,27,28,29).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 452.62 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-3,3-bis(4-methoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59232774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).