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

C17H19N3O4S2 — CID 53056055

IUPACN-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cccs2)no1
InChIInChI=1S/C17H19N3O4S2/c1-13-6-3-4-7-14(13)23-12-16-18-15(19-24-16)9-10-20(2)26(21,22)17-8-5-11-25-17/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMUEQPOCCFZEBRX-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.88
Rot. Bonds8

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

N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 53056055) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide
PubChem CID53056055
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide
SMILESCc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cccs2)no1
InChIInChI=1S/C17H19N3O4S2/c1-13-6-3-4-7-14(13)23-12-16-18-15(19-24-16)9-10-20(2)26(21,22)17-8-5-11-25-17/h3-8,11H,9-10,12H2,1-2H3
InChIKeyMUEQPOCCFZEBRX-UHFFFAOYSA-N
XLogP2.88
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]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

Related Compounds

N,4-dimethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056044
4-bromo-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056046
N,2,5-trimethyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056053
N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,2-dimethylbenzenesulfonamide
CID 53056183
N-[4-methyl-2-[methyl-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]sulfamoyl]phenyl]acetamide
CID 53056068
2-fluoro-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056200
3-fluoro-N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50765623
N-[2-[5-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N,4-dimethylbenzenesulfonamide
CID 53056107
N,3,5-trimethyl-N-[2-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53056102
N-methyl-N-[2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055986
4-bromo-N-[2-[5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53004688
N-(2-methoxyphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-sulfonamide
CID 86992259

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide (CID 53056055) is N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide is Cc1ccccc1OCc1nc(CCN(C)S(=O)(=O)c2cccs2)no1.
What is the InChIKey of N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is MUEQPOCCFZEBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-13-6-3-4-7-14(13)23-12-16-18-15(19-24-16)9-10-20(2)26(21,22)17-8-5-11-25-17/h3-8,11H,9-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide?
N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-[(2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53056055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).