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

C20H22N4O4S2 — CID 43973328

IUPACN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14-6-8-15(9-7-14)12-17-22-23-20(28-17)21-19(25)16-4-2-10-24(13-16)30(26,27)18-5-3-11-29-18/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,21,23,25)
InChIKeyYLEZOKKDACQIRT-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.07
Rot. Bonds6

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

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 43973328) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID43973328
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)cc1
InChIInChI=1S/C20H22N4O4S2/c1-14-6-8-15(9-7-14)12-17-22-23-20(28-17)21-19(25)16-4-2-10-24(13-16)30(26,27)18-5-3-11-29-18/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,21,23,25)
InChIKeyYLEZOKKDACQIRT-UHFFFAOYSA-N
XLogP3.07
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43975521
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16828812
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973630
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973618
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9086805
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-(2-benzylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013553

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 43973328) is N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is Cc1ccc(Cc2nnc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)o2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is YLEZOKKDACQIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-14-6-8-15(9-7-14)12-17-22-23-20(28-17)21-19(25)16-4-2-10-24(13-16)30(26,27)18-5-3-11-29-18/h3,5-9,11,16H,2,4,10,12-13H2,1H3,(H,21,23,25).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43973328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).