2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide

C14H17N3O2S — CID 166277902

IUPAC2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide
SMILESCCCCOc1ccc(CC(=O)Nc2cnns2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-3-8-19-12-6-4-11(5-7-12)9-13(18)16-14-10-15-17-20-14/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyFHZFXVSFSGCIKD-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.90
Rot. Bonds7

About 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide

2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide (PubChem CID 166277902) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide
PubChem CID166277902
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide
SMILESCCCCOc1ccc(CC(=O)Nc2cnns2)cc1
InChIInChI=1S/C14H17N3O2S/c1-2-3-8-19-12-6-4-11(5-7-12)9-13(18)16-14-10-15-17-20-14/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyFHZFXVSFSGCIKD-UHFFFAOYSA-N
XLogP2.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.90
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

2-(4-chlorophenyl)-N-(thiadiazol-5-yl)acetamide
CID 166219432
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
1-(4-butoxyphenyl)-3-hydroxypropan-2-one
CID 58028393
2-(4-pentoxyphenyl)acetate
CID 7009494
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
3-(4-butoxyphenyl)-2-oxopropan-1-olate
CID 58028394
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
methyl 2-hydroxy-5-[[2-(4-octadecoxyphenyl)acetyl]amino]benzoate
CID 139925524
N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
2-(4-ethoxyphenyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 26209657
5-bromo-N-(thiadiazol-5-yl)pentanamide
CID 107910710
N-(3-butoxyphenyl)-2-(4-chlorophenyl)acetamide
CID 17095062

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide (CID 166277902) is 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide is CCCCOc1ccc(CC(=O)Nc2cnns2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide?
The InChIKey is FHZFXVSFSGCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-3-8-19-12-6-4-11(5-7-12)9-13(18)16-14-10-15-17-20-14/h4-7,10H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide?
2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 166277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).