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

C15H15N3O3S2 — CID 47059713

IUPACN-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2nc(CN(C)S(=O)(=O)c3cccs3)no2)cc1
InChIInChI=1S/C15H15N3O3S2/c1-11-5-7-12(8-6-11)15-16-13(17-21-15)10-18(2)23(19,20)14-4-3-9-22-14/h3-9H,10H2,1-2H3
InChIKeyQEWQKBIEGOKKPR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.93
Rot. Bonds5

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

N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide (PubChem CID 47059713) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
PubChem CID47059713
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide
SMILESCc1ccc(-c2nc(CN(C)S(=O)(=O)c3cccs3)no2)cc1
InChIInChI=1S/C15H15N3O3S2/c1-11-5-7-12(8-6-11)15-16-13(17-21-15)10-18(2)23(19,20)14-4-3-9-22-14/h3-9H,10H2,1-2H3
InChIKeyQEWQKBIEGOKKPR-UHFFFAOYSA-N
XLogP2.93
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide (CID 47059713) is N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide is Cc1ccc(-c2nc(CN(C)S(=O)(=O)c3cccs3)no2)cc1.
What is the InChIKey of N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is QEWQKBIEGOKKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-11-5-7-12(8-6-11)15-16-13(17-21-15)10-18(2)23(19,20)14-4-3-9-22-14/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide?
N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47059713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).