(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

C17H14BrN3O2S — CID 51958231

IUPAC(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)s1
InChIInChI=1S/C17H14BrN3O2S/c1-11-20-21-17(24-11)19-16(22)15(12-6-3-2-4-7-12)23-14-9-5-8-13(18)10-14/h2-10,15H,1H3,(H,19,21,22)/t15-/m1/s1
InChIKeyCZKLBHROLSIQMZ-OAHLLOKOSA-N
MW404.29 g/mol
LogP4.37
Rot. Bonds5

About (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide

(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (PubChem CID 51958231) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
PubChem CID51958231
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC Name(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
SMILESCc1nnc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)s1
InChIInChI=1S/C17H14BrN3O2S/c1-11-20-21-17(24-11)19-16(22)15(12-6-3-2-4-7-12)23-14-9-5-8-13(18)10-14/h2-10,15H,1H3,(H,19,21,22)/t15-/m1/s1
InChIKeyCZKLBHROLSIQMZ-OAHLLOKOSA-N
XLogP4.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(3-bromophenoxy)-2-phenylacetic acid
CID 42181032
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
(2R)-2-(3-bromophenoxy)-N-(ethylcarbamoyl)-2-phenylacetamide
CID 7818419
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 129199722
2-(3-bromophenoxy)-N-[3-(methylamino)propyl]-2-phenylacetamide;hydrochloride
CID 119432773
2-(3-bromophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 19197549
3-methoxy-N-[4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23099099
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
2-(4-bromo-2-methylphenoxy)-2-phenylacetohydrazide
CID 63570205
2-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2992863
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide (CID 51958231) is (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is Cc1nnc(NC(=O)[C@H](Oc2cccc(Br)c2)c2ccccc2)s1.
What is the InChIKey of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
The InChIKey is CZKLBHROLSIQMZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c1-11-20-21-17(24-11)19-16(22)15(12-6-3-2-4-7-12)23-14-9-5-8-13(18)10-14/h2-10,15H,1H3,(H,19,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide?
(2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide has a molecular weight of 404.29 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 51958231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).