N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide

C12H11N3O3S3 — CID 53277887

IUPACN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11N3O3S3/c1-15(21(16,17)11-5-3-7-20-11)8-10-13-12(14-18-10)9-4-2-6-19-9/h2-7H,8H2,1H3
InChIKeyWKFVUJLDOURIIW-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.68
Rot. Bonds5

About N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide

N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 53277887) has the molecular formula C12H11N3O3S3 and a molecular weight of 341.44 g/mol. Its IUPAC name is N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID53277887
Molecular FormulaC12H11N3O3S3
Molecular Weight341.44 g/mol
Exact Mass341.00
IUPAC NameN-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11N3O3S3/c1-15(21(16,17)11-5-3-7-20-11)8-10-13-12(14-18-10)9-4-2-6-19-9/h2-7H,8H2,1H3
InChIKeyWKFVUJLDOURIIW-UHFFFAOYSA-N
XLogP2.68
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 110323234
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
2-methoxy-N-(2-methoxyethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 78807249
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
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
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
N-ethyl-4-methoxy-2-methyl-5-propan-2-yl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100609124
2-(4-methoxyphenyl)-2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111122603
2,4-dichloro-N-[5-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100760227
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
CID 47059713
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 47206964

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 53277887) is N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is WKFVUJLDOURIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S3/c1-15(21(16,17)11-5-3-7-20-11)8-10-13-12(14-18-10)9-4-2-6-19-9/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53277887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).