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

C14H13N3O3S2 — CID 110322583

IUPAC5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-7-8-13(21-10)22(18,19)15-9-12-16-14(17-20-12)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKeyNEBDDMWDVGDHQI-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.59
Rot. Bonds5

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

5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110322583) has the molecular formula C14H13N3O3S2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
PubChem CID110322583
Molecular FormulaC14H13N3O3S2
Molecular Weight335.41 g/mol
Exact Mass335.04
IUPAC Name5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1
InChIInChI=1S/C14H13N3O3S2/c1-10-7-8-13(21-10)22(18,19)15-9-12-16-14(17-20-12)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3
InChIKeyNEBDDMWDVGDHQI-UHFFFAOYSA-N
XLogP2.59
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 110323112
5-ethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 110322885
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]methanesulfonamide
CID 4976105
3-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322586
4-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 110322575
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 30154484
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
4-methoxy-2,3-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 100761906
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 73440737
2-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanesulfonamide
CID 110322590

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide (CID 110322583) is 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3)no2)s1.
What is the InChIKey of 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is NEBDDMWDVGDHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S2/c1-10-7-8-13(21-10)22(18,19)15-9-12-16-14(17-20-12)11-5-3-2-4-6-11/h2-8,15H,9H2,1H3.
What are the key properties of 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 335.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110322583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).