N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C14H10Cl2N4O4S2 — CID 112839272

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H10Cl2N4O4S2/c15-10-7-9(13(16)25-10)26(22,23)20-11(21)4-5-12-18-14(19-24-12)8-3-1-2-6-17-8/h1-3,6-7H,4-5H2,(H,20,21)
InChIKeyFCYNNDGISHOUMN-UHFFFAOYSA-N
MW433.30 g/mol
LogP2.94
Rot. Bonds6

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 112839272) has the molecular formula C14H10Cl2N4O4S2 and a molecular weight of 433.30 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID112839272
Molecular FormulaC14H10Cl2N4O4S2
Molecular Weight433.30 g/mol
Exact Mass431.95
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H10Cl2N4O4S2/c15-10-7-9(13(16)25-10)26(22,23)20-11(21)4-5-12-18-14(19-24-12)8-3-1-2-6-17-8/h1-3,6-7H,4-5H2,(H,20,21)
InChIKeyFCYNNDGISHOUMN-UHFFFAOYSA-N
XLogP2.94
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
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CID 86980596
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354689
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78868375
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide;dihydrochloride
CID 119608011
[2-(methylamino)-2-oxoethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46459126
N-[2-(2,6-difluorophenyl)ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 87006930
2,5-dichloro-N-(2-pyridin-2-ylethyl)thiophene-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 112839272) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccn2)no1)NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is FCYNNDGISHOUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O4S2/c15-10-7-9(13(16)25-10)26(22,23)20-11(21)4-5-12-18-14(19-24-12)8-3-1-2-6-17-8/h1-3,6-7H,4-5H2,(H,20,21).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 433.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 112839272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).