N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

C24H29N3O2S — CID 19196914

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)s1
InChIInChI=1S/C24H29N3O2S/c1-5-17(6-2)22-26-27-23(30-22)25-21(28)16-29-20-14-12-19(13-15-20)24(3,4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,25,27,28)
InChIKeyYLNZVQKKLNVYAY-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.79
Rot. Bonds9

About N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (PubChem CID 19196914) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
PubChem CID19196914
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
SMILESCCC(CC)c1nnc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)s1
InChIInChI=1S/C24H29N3O2S/c1-5-17(6-2)22-26-27-23(30-22)25-21(28)16-29-20-14-12-19(13-15-20)24(3,4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,25,27,28)
InChIKeyYLNZVQKKLNVYAY-UHFFFAOYSA-N
XLogP5.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196426
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 1194383
2-(3,5-dimethylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3936393
2-(3-fluorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2675897
2-(3-chlorophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2241620
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-amino-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide;hydrochloride
CID 120586738
4-ethoxy-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086877
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-propoxyphenoxy)acetamide
CID 32624003
2-(2-bromo-4-phenylphenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 19196783
N-[3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17154580
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide (CID 19196914) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is CCC(CC)c1nnc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
The InChIKey is YLNZVQKKLNVYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-5-17(6-2)22-26-27-23(30-22)25-21(28)16-29-20-14-12-19(13-15-20)24(3,4)18-10-8-7-9-11-18/h7-15,17H,5-6,16H2,1-4H3,(H,25,27,28).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 19196914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).