N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

C23H26N2O3S — CID 9490178

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-23(2,3)18-6-10-20(11-7-18)27-13-12-24-22(26)17-4-8-21(9-5-17)28-14-19-15-29-16-25-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)
InChIKeyDSIRZVMGTQSWOI-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.83
Rot. Bonds8

About N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 9490178) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID9490178
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCC(C)(C)c1ccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1
InChIInChI=1S/C23H26N2O3S/c1-23(2,3)18-6-10-20(11-7-18)27-13-12-24-22(26)17-4-8-21(9-5-17)28-14-19-15-29-16-25-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,26)
InChIKeyDSIRZVMGTQSWOI-UHFFFAOYSA-N
XLogP4.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
3-Methoxy-N-({2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009273
N-[(2S)-1-[[(2S)-6-amino-1-[[(1R)-2-amino-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1,3-thiazole-4-carboxamide
CID 127037699
(2R)-2-amino-N-[(2R)-2-[4-(2-methylpentoxy)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 51355882
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]benzamide
CID 71499363
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-4-methylbenzamide
CID 71499498
3,4-diethoxy-N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7518505
N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9265982
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}benzamide
CID 24790117
4-{[1-(methoxyacetyl)-4-piperidinyl]oxy}-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 24793913
4-{[1-(3-methoxypropanoyl)-4-piperidinyl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 24819478
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 2126875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 9490178) is N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is CC(C)(C)c1ccc(OCCNC(=O)c2ccc(OCc3cscn3)cc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is DSIRZVMGTQSWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-23(2,3)18-6-10-20(11-7-18)27-13-12-24-22(26)17-4-8-21(9-5-17)28-14-19-15-29-16-25-19/h4-11,15-16H,12-14H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 9490178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).