(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide

C25H30N2O3S — CID 35574095

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCOc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C25H30N2O3S/c1-17(30-22-12-8-19(9-13-22)25(2,3)4)23(28)26-15-14-20-16-31-24(27-20)18-6-10-21(29-5)11-7-18/h6-13,16-17H,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1
InChIKeyPLEMHEILNWOQQR-KRWDZBQOSA-N
MW438.59 g/mol
LogP5.24
Rot. Bonds8

About (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 35574095) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID35574095
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCOc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1
InChIInChI=1S/C25H30N2O3S/c1-17(30-22-12-8-19(9-13-22)25(2,3)4)23(28)26-15-14-20-16-31-24(27-20)18-6-10-21(29-5)11-7-18/h6-13,16-17H,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1
InChIKeyPLEMHEILNWOQQR-KRWDZBQOSA-N
XLogP5.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 23613110
(2R)-2-(4-tert-butylphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 33263616
(2R)-2-(4-tert-butylphenoxy)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 26819672
(2R)-2-(4-ethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342111
(2R)-2-(3,4-dimethylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35342066
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
(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
(2S)-2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35341887
2-(4-chloro-3-methylphenoxy)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 43843190
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide (CID 35574095) is (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is PLEMHEILNWOQQR-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-17(30-22-12-8-19(9-13-22)25(2,3)4)23(28)26-15-14-20-16-31-24(27-20)18-6-10-21(29-5)11-7-18/h6-13,16-17H,14-15H2,1-5H3,(H,26,28)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 438.59 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 35574095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).