2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide

C26H24ClN5O3 — CID 157311138

IUPAC2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCc1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)COc2cc(Cl)ccc2-n2cnnn2)cc1
InChIInChI=1S/C26H24ClN5O3/c1-18-7-9-20(10-8-18)14-24(33)22(13-19-5-3-2-4-6-19)29-26(34)16-35-25-15-21(27)11-12-23(25)32-17-28-30-31-32/h2-12,15,17,22H,13-14,16H2,1H3,(H,29,34)/t22-/m0/s1
InChIKeyJZOFGYOIFLXNPU-QFIPXVFZSA-N
MW489.96 g/mol
LogP3.54
Rot. Bonds10

About 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide

2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide (PubChem CID 157311138) has the molecular formula C26H24ClN5O3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide
PubChem CID157311138
Molecular FormulaC26H24ClN5O3
Molecular Weight489.96 g/mol
Exact Mass489.16
IUPAC Name2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide
SMILESCc1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)COc2cc(Cl)ccc2-n2cnnn2)cc1
InChIInChI=1S/C26H24ClN5O3/c1-18-7-9-20(10-8-18)14-24(33)22(13-19-5-3-2-4-6-19)29-26(34)16-35-25-15-21(27)11-12-23(25)32-17-28-30-31-32/h2-12,15,17,22H,13-14,16H2,1H3,(H,29,34)/t22-/m0/s1
InChIKeyJZOFGYOIFLXNPU-QFIPXVFZSA-N
XLogP3.54
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.96
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2R)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 162098208
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-(4-phenylphenyl)butan-2-yl]prop-2-enamide
CID 158702176
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-4-[4-(2-oxopropyl)phenyl]-1-phenylbutan-2-yl]prop-2-enamide
CID 158128543
(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 160558247
(E)-N-[(2S)-4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 160895726
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-[4-[4-[ethoxy(methyl)phosphoryl]butanoyl]phenyl]-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 159800586
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 159271338
methyl 4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-oxo-4-phenylbutyl]benzoate
CID 161256184
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 160686051
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7769152
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-1-(4-fluorophenyl)-3-oxo-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide
CID 159766479
N-[(2S)-1-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 59402204

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide (CID 157311138) is 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide is Cc1ccc(CC(=O)[C@H](Cc2ccccc2)NC(=O)COc2cc(Cl)ccc2-n2cnnn2)cc1.
What is the InChIKey of 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide?
The InChIKey is JZOFGYOIFLXNPU-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H24ClN5O3/c1-18-7-9-20(10-8-18)14-24(33)22(13-19-5-3-2-4-6-19)29-26(34)16-35-25-15-21(27)11-12-23(25)32-17-28-30-31-32/h2-12,15,17,22H,13-14,16H2,1H3,(H,29,34)/t22-/m0/s1.
What are the key properties of 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide?
2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide has a molecular weight of 489.96 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(tetrazol-1-yl)phenoxy]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 157311138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).