N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C19H20N4O4S2 — CID 16828812

IUPACN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1
InChIInChI=1S/C19H20N4O4S2/c1-13-5-2-6-14(11-13)18-21-22-19(27-18)20-17(24)15-7-3-9-23(12-15)29(25,26)16-8-4-10-28-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,20,22,24)
InChIKeyVZFQVHLNXWUAFO-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.15
Rot. Bonds5

About N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16828812) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16828812
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1cccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1
InChIInChI=1S/C19H20N4O4S2/c1-13-5-2-6-14(11-13)18-21-22-19(27-18)20-17(24)15-7-3-9-23(12-15)29(25,26)16-8-4-10-28-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,20,22,24)
InChIKeyVZFQVHLNXWUAFO-UHFFFAOYSA-N
XLogP3.15
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43976795
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43973328
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(5-chlorothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 16854465
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43976851
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43977858
1-(5-chlorothiophen-2-yl)sulfonyl-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 16854813
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16828812) is N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1cccc(-c2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is VZFQVHLNXWUAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13-5-2-6-14(11-13)18-21-22-19(27-18)20-17(24)15-7-3-9-23(12-15)29(25,26)16-8-4-10-28-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,20,22,24).
What are the key properties of N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16828812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).