(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

C23H26N2O2S — CID 26819672

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C23H26N2O2S/c1-16(27-20-12-10-18(11-13-20)23(2,3)4)21(26)24-14-19-15-28-22(25-19)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyOMMVAHCCDBQHKT-MRXNPFEDSA-N
MW394.54 g/mol
LogP5.19
Rot. Bonds6

About (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide

(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 26819672) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID26819672
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C23H26N2O2S/c1-16(27-20-12-10-18(11-13-20)23(2,3)4)21(26)24-14-19-15-28-22(25-19)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,24,26)/t16-/m1/s1
InChIKeyOMMVAHCCDBQHKT-MRXNPFEDSA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 23613110
2-(3,5-dimethylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 17165615
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
(2S)-2-(4-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819774
(2R)-2-(3,4-dimethylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819793
(2R)-2-(2-fluorophenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819769
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 26819706
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 17165880
(2S)-2-(4-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8571270
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide (CID 26819672) is (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is OMMVAHCCDBQHKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-16(27-20-12-10-18(11-13-20)23(2,3)4)21(26)24-14-19-15-28-22(25-19)17-8-6-5-7-9-17/h5-13,15-16H,14H2,1-4H3,(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 394.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 26819672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).