2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide

C16H20N4O4S2 — CID 22517522

IUPAC2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C16H20N4O4S2/c1-12(24-13-8-4-2-5-9-13)14(21)17-15-18-19-16(25-15)26(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKeyUCOTYAWAALZVIX-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.12
Rot. Bonds6

About 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide

2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 22517522) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID22517522
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Name2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1
InChIInChI=1S/C16H20N4O4S2/c1-12(24-13-8-4-2-5-9-13)14(21)17-15-18-19-16(25-15)26(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,18,21)
InChIKeyUCOTYAWAALZVIX-UHFFFAOYSA-N
XLogP2.12
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-(4-chlorophenoxy)acetamide
CID 16017294
N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 16017305
2-(4-chlorophenoxy)-N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 16017313
2-(2-Methylphenoxy)-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]acetamide
CID 16017337
2-(4-Fluorophenoxy)-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]acetamide
CID 16017339
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-phenoxyacetamide
CID 16017616
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-(2-methylphenoxy)acetamide
CID 16017618
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-(4-methylphenoxy)acetamide
CID 16017622
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-(4-methoxyphenoxy)acetamide
CID 16017624
2-(3-Methylphenoxy)-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]acetamide
CID 22517519
2-(4-Methylphenoxy)-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]acetamide
CID 22517520
2-(3-methylphenoxy)-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}acetamide
CID 22517541

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide (CID 22517522) is 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide is CC(Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)N2CCCCC2)s1.
What is the InChIKey of 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UCOTYAWAALZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-12(24-13-8-4-2-5-9-13)14(21)17-15-18-19-16(25-15)26(22,23)20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,17,18,21).
What are the key properties of 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide?
2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 22517522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).