4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide

C21H24N4O4S2 — CID 53127540

IUPAC4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c(C)c1
InChIInChI=1S/C21H24N4O4S2/c1-13-9-14(2)18(15(3)10-13)24-31(27,28)17-11-16(12-30-17)19-22-23-20(29-19)21(26)25-7-5-4-6-8-25/h9-12,24H,4-8H2,1-3H3
InChIKeyFMVAWEMWBCQEAK-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.15
Rot. Bonds5

About 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide

4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (PubChem CID 53127540) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
PubChem CID53127540
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c(C)c1
InChIInChI=1S/C21H24N4O4S2/c1-13-9-14(2)18(15(3)10-13)24-31(27,28)17-11-16(12-30-17)19-22-23-20(29-19)21(26)25-7-5-4-6-8-25/h9-12,24H,4-8H2,1-3H3
InChIKeyFMVAWEMWBCQEAK-UHFFFAOYSA-N
XLogP4.15
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127440
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 95092174
N-(2-methylbutan-2-yl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127450
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 53011795
N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127467
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127446
N-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
4-(azepane-1-carbonyl)-N-(4-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 50777609
N-(2,4-dimethylphenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133619
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514

Frequently Asked Questions

What is the IUPAC name of 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (CID 53127540) is 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)c(C)c1.
What is the InChIKey of 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is FMVAWEMWBCQEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-13-9-14(2)18(15(3)10-13)24-31(27,28)17-11-16(12-30-17)19-22-23-20(29-19)21(26)25-7-5-4-6-8-25/h9-12,24H,4-8H2,1-3H3.
What are the key properties of 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 460.58 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53127540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).