2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide

C16H20N4O4S2 — CID 22517530

IUPAC2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C16H20N4O4S2/c1-11-7-9-20(10-8-11)26(22,23)16-19-18-15(25-16)17-14(21)12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyOEAUNYFTTHCQHF-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.22
Rot. Bonds5

About 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide

2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 22517530) has the molecular formula C16H20N4O4S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID22517530
Molecular FormulaC16H20N4O4S2
Molecular Weight396.49 g/mol
Exact Mass396.09
IUPAC Name2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C16H20N4O4S2/c1-11-7-9-20(10-8-11)26(22,23)16-19-18-15(25-16)17-14(21)12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21)
InChIKeyOEAUNYFTTHCQHF-UHFFFAOYSA-N
XLogP2.22
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.22
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

2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
N-[5-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 8481799
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-methoxybenzamide
CID 16017324
3-Methoxy-N-[5-(pyrrolidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017333
N-(5-{[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 16017398
2-Methoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017555
3,4-dimethoxy-N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}benzamide
CID 16017563
N-[5-(Azepane-1-sulfonyl)-1,3,4-thiadiazol-2-YL]-2-methoxybenzamide
CID 16017582
4-Methoxy-N-[5-(morpholine-4-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 16017613
3-methoxy-N-[5-(morpholin-4-ylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16017615
3-fluoro-N-[5-[methyl(p-anisyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 20921615
3-Methoxy-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-YL]benzamide
CID 22517505

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide (CID 22517530) is 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N2CCC(C)CC2)s1.
What is the InChIKey of 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OEAUNYFTTHCQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S2/c1-11-7-9-20(10-8-11)26(22,23)16-19-18-15(25-16)17-14(21)12-5-3-4-6-13(12)24-2/h3-6,11H,7-10H2,1-2H3,(H,17,18,21).
What are the key properties of 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(4-methylpiperidin-1-yl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 22517530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).