N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

C19H20N4O4S2 — CID 121117210

IUPACN-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(24)20-16-2-4-17(5-3-16)29(25,26)23-9-6-14(7-10-23)18-21-22-19(27-18)15-8-11-28-12-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,20,24)
InChIKeyNFMRXVCVFSQYJY-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.32
Rot. Bonds5

About N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 121117210) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID121117210
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-13(24)20-16-2-4-17(5-3-16)29(25,26)23-9-6-14(7-10-23)18-21-22-19(27-18)15-8-11-28-12-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,20,24)
InChIKeyNFMRXVCVFSQYJY-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-sulfonamide
CID 121117215
N-(4-chlorophenyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114489
N-[4-[(3R)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 99963727
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
N-[4-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 132675528
2-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 92595356
2-thiophen-2-yl-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 71793008
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 121117253
ethyl 2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetate
CID 121116782
3-methoxy-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92610969

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 121117210) is N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1.
What is the InChIKey of N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is NFMRXVCVFSQYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-13(24)20-16-2-4-17(5-3-16)29(25,26)23-9-6-14(7-10-23)18-21-22-19(27-18)15-8-11-28-12-15/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H,20,24).
What are the key properties of N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 432.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 121117210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).