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

C21H24N4O6S2 — CID 53126413

IUPACN-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1
InChIInChI=1S/C21H24N4O6S2/c1-3-29-15-7-8-17(30-4-2)16(12-15)24-33(27,28)18-11-14(13-32-18)19-22-20(31-23-19)21(26)25-9-5-6-10-25/h7-8,11-13,24H,3-6,9-10H2,1-2H3
InChIKeyAPDBKHQIYZNCMA-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.63
Rot. Bonds9

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

N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53126413) has the molecular formula C21H24N4O6S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
PubChem CID53126413
Molecular FormulaC21H24N4O6S2
Molecular Weight492.58 g/mol
Exact Mass492.11
IUPAC NameN-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESCCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1
InChIInChI=1S/C21H24N4O6S2/c1-3-29-15-7-8-17(30-4-2)16(12-15)24-33(27,28)18-11-14(13-32-18)19-22-20(31-23-19)21(26)25-9-5-6-10-25/h7-8,11-13,24H,3-6,9-10H2,1-2H3
InChIKeyAPDBKHQIYZNCMA-UHFFFAOYSA-N
XLogP3.63
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126357
N-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
N-(2-ethoxyphenyl)-2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 53204945
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(2,3-dimethylphenyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126447
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777538
N-(2-chloro-4-methylphenyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126466
N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126332
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126458
N-(3,5-dimethylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127440

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (CID 53126413) is N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3noc(C(=O)N4CCCC4)n3)cs2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is APDBKHQIYZNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S2/c1-3-29-15-7-8-17(30-4-2)16(12-15)24-33(27,28)18-11-14(13-32-18)19-22-20(31-23-19)21(26)25-9-5-6-10-25/h7-8,11-13,24H,3-6,9-10H2,1-2H3.
What are the key properties of N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 492.58 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53126413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).