2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide

C10H11N3O4S2 — CID 47206964

IUPAC2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C10H11N3O4S2/c1-6(9(11)14)19(15,16)5-8-12-10(13-17-8)7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H2,11,14)
InChIKeyKTUYMSSADDIARE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.59
Rot. Bonds5

About 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide

2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide (PubChem CID 47206964) has the molecular formula C10H11N3O4S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
PubChem CID47206964
Molecular FormulaC10H11N3O4S2
Molecular Weight301.35 g/mol
Exact Mass301.02
IUPAC Name2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C10H11N3O4S2/c1-6(9(11)14)19(15,16)5-8-12-10(13-17-8)7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H2,11,14)
InChIKeyKTUYMSSADDIARE-UHFFFAOYSA-N
XLogP0.59
TPSA116.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 47024366
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
5-[(1R)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 95154621
5-[(1S)-1-benzylsulfonylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 94828409
N-methyl-2-(N-methylsulfonylanilino)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 132666214
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 110323234

Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The IUPAC name of 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide (CID 47206964) is 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide.
What is the SMILES notation for 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The canonical SMILES for 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide is CC(C(N)=O)S(=O)(=O)Cc1nc(-c2cccs2)no1.
What is the InChIKey of 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
The InChIKey is KTUYMSSADDIARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S2/c1-6(9(11)14)19(15,16)5-8-12-10(13-17-8)7-3-2-4-18-7/h2-4,6H,5H2,1H3,(H2,11,14).
What are the key properties of 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide?
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide is sourced from PubChem (CID 47206964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).