N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide

C17H19N3O4S2 — CID 23445415

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide
SMILESCOc1cccc(NCc2sccc2S(=O)(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C17H19N3O4S2/c1-11-12(2)19-24-17(11)20-26(21,22)16-7-8-25-15(16)10-18-13-5-4-6-14(9-13)23-3/h4-9,18,20H,10H2,1-3H3
InChIKeyHQUFAGPQXKZVDX-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.77
Rot. Bonds7

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide (PubChem CID 23445415) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide
PubChem CID23445415
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide
SMILESCOc1cccc(NCc2sccc2S(=O)(=O)Nc2onc(C)c2C)c1
InChIInChI=1S/C17H19N3O4S2/c1-11-12(2)19-24-17(11)20-26(21,22)16-7-8-25-15(16)10-18-13-5-4-6-14(9-13)23-3/h4-9,18,20H,10H2,1-3H3
InChIKeyHQUFAGPQXKZVDX-UHFFFAOYSA-N
XLogP3.77
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-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

methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4-dimethoxybenzenesulfonamide
CID 19683706
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 20935455
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-methoxyphenyl)benzenesulfonamide
CID 10713411
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
CID 10274552
(3-methylphenyl) 3-[(4-bromo-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445317
2-[2-(1,3-benzodioxol-5-yl)acetyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 10502226
N-(4-methoxy-2-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106056030
3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]-N-(2-ethyl-4-methoxyphenyl)thiophene-2-carboxamide
CID 70248457
2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-N-phenylthiophene-3-carboxamide
CID 70059267
[3-(dimethylamino)phenyl] 3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 23445293
N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2-[(2,4-dimethylphenoxy)methyl]thiophene-3-sulfonamide
CID 23445379

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide (CID 23445415) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide is COc1cccc(NCc2sccc2S(=O)(=O)Nc2onc(C)c2C)c1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide?
The InChIKey is HQUFAGPQXKZVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-11-12(2)19-24-17(11)20-26(21,22)16-7-8-25-15(16)10-18-13-5-4-6-14(9-13)23-3/h4-9,18,20H,10H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[(3-methoxyanilino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 23445415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).