2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide

C29H30N2O3S — CID 108761342

IUPAC2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C29H30N2O3S/c1-29(2,3)24-16-23(33-4)13-14-26(24)34-18-27(32)30-17-20-9-8-12-22(15-20)28-31-25(19-35-28)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,30,32)
InChIKeyBDRBVWNYMHYUSA-UHFFFAOYSA-N
MW486.64 g/mol
LogP6.48
Rot. Bonds8

About 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide

2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide (PubChem CID 108761342) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
PubChem CID108761342
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC Name2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
SMILESCOc1ccc(OCC(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)c(C(C)(C)C)c1
InChIInChI=1S/C29H30N2O3S/c1-29(2,3)24-16-23(33-4)13-14-26(24)34-18-27(32)30-17-20-9-8-12-22(15-20)28-31-25(19-35-28)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,30,32)
InChIKeyBDRBVWNYMHYUSA-UHFFFAOYSA-N
XLogP6.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770964
2-(3,5-dimethylphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738591
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]-2-(2-prop-2-enoxyphenoxy)acetamide
CID 108761354
2-(2-methoxyethoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108738527
2-phenoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739624
ethyl N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]carbamate
CID 108738545
N-[(3-methoxyphenyl)methyl]-2-(4-phenylphenoxy)acetamide
CID 9495681
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-(2-methoxyphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 23613092
4-oxo-4-phenyl-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butanamide
CID 108738568
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide (CID 108761342) is 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide is COc1ccc(OCC(=O)NCc2cccc(-c3nc(-c4ccccc4)cs3)c2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
The InChIKey is BDRBVWNYMHYUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-29(2,3)24-16-23(33-4)13-14-26(24)34-18-27(32)30-17-20-9-8-12-22(15-20)28-31-25(19-35-28)21-10-6-5-7-11-21/h5-16,19H,17-18H2,1-4H3,(H,30,32).
What are the key properties of 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide?
2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide has a molecular weight of 486.64 g/mol, XLogP of 6.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methoxyphenoxy)-N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 108761342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).