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

C19H20N4O5S2 — CID 53127489

IUPACN-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1
InChIInChI=1S/C19H20N4O5S2/c1-27-15-7-5-14(6-8-15)22-30(25,26)16-11-13(12-29-16)17-20-21-18(28-17)19(24)23-9-3-2-4-10-23/h5-8,11-12,22H,2-4,9-10H2,1H3
InChIKeySRPBWUBTNSIZTO-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.23
Rot. Bonds6

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

N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 53127489) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
PubChem CID53127489
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC NameN-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1
InChIInChI=1S/C19H20N4O5S2/c1-27-15-7-5-14(6-8-15)22-30(25,26)16-11-13(12-29-16)17-20-21-18(28-17)19(24)23-9-3-2-4-10-23/h5-8,11-12,22H,2-4,9-10H2,1H3
InChIKeySRPBWUBTNSIZTO-UHFFFAOYSA-N
XLogP3.23
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53127540
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127446
N-[(2S)-butan-2-yl]-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 95092174
N-(2-chloro-4-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127467
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-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777538
N-(4-methoxyphenyl)-5-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 20958429
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide (CID 53127489) is N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(-c3nnc(C(=O)N4CCCCC4)o3)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is SRPBWUBTNSIZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-27-15-7-5-14(6-8-15)22-30(25,26)16-11-13(12-29-16)17-20-21-18(28-17)19(24)23-9-3-2-4-10-23/h5-8,11-12,22H,2-4,9-10H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide?
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 448.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53127489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).