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

C17H17N5O4S2 — CID 53126332

IUPACN-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESO=C(c1nc(-c2csc(S(=O)(=O)NCc3cccnc3)c2)no1)N1CCCC1
InChIInChI=1S/C17H17N5O4S2/c23-17(22-6-1-2-7-22)16-20-15(21-26-16)13-8-14(27-11-13)28(24,25)19-10-12-4-3-5-18-9-12/h3-5,8-9,11,19H,1-2,6-7,10H2
InChIKeyJOTDXXZHQQEVJJ-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.91
Rot. Bonds6

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

N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (PubChem CID 53126332) has the molecular formula C17H17N5O4S2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
PubChem CID53126332
Molecular FormulaC17H17N5O4S2
Molecular Weight419.49 g/mol
Exact Mass419.07
IUPAC NameN-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
SMILESO=C(c1nc(-c2csc(S(=O)(=O)NCc3cccnc3)c2)no1)N1CCCC1
InChIInChI=1S/C17H17N5O4S2/c23-17(22-6-1-2-7-22)16-20-15(21-26-16)13-8-14(27-11-13)28(24,25)19-10-12-4-3-5-18-9-12/h3-5,8-9,11,19H,1-2,6-7,10H2
InChIKeyJOTDXXZHQQEVJJ-UHFFFAOYSA-N
XLogP1.91
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126458
N-(2-fluorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126357
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(4-bromo-3-methylphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126387
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127446
3-(azepane-1-carbonyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 109064852
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413
(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92895841
[3-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-1,2,4-oxadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53126407
N-(2,3-dimethylphenyl)-4-[5-(morpholine-4-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126447
3-[2-(azepan-1-yl)-4-pyridinyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175290
5-[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(4-chlorophenyl)methyl]-2-methylbenzenesulfonamide
CID 53205141

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide (CID 53126332) is N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is O=C(c1nc(-c2csc(S(=O)(=O)NCc3cccnc3)c2)no1)N1CCCC1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is JOTDXXZHQQEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S2/c23-17(22-6-1-2-7-22)16-20-15(21-26-16)13-8-14(27-11-13)28(24,25)19-10-12-4-3-5-18-9-12/h3-5,8-9,11,19H,1-2,6-7,10H2.
What are the key properties of N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide?
N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 419.49 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53126332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).