5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide

C17H15N3O5S2 — CID 22583246

IUPAC5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])s2)cc1
InChIInChI=1S/C17H15N3O5S2/c1-11-3-5-13(6-4-11)19-27(23,24)16-10-8-14(26-16)7-9-15-17(20(21)22)12(2)18-25-15/h3-10,19H,1-2H3/b9-7+
InChIKeyIUIDHILIXCHBGQ-VQHVLOKHSA-N
MW405.46 g/mol
LogP4.23
Rot. Bonds6

About 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide

5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide (PubChem CID 22583246) has the molecular formula C17H15N3O5S2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
PubChem CID22583246
Molecular FormulaC17H15N3O5S2
Molecular Weight405.46 g/mol
Exact Mass405.05
IUPAC Name5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])s2)cc1
InChIInChI=1S/C17H15N3O5S2/c1-11-3-5-13(6-4-11)19-27(23,24)16-10-8-14(26-16)7-9-15-17(20(21)22)12(2)18-25-15/h3-10,19H,1-2H3/b9-7+
InChIKeyIUIDHILIXCHBGQ-VQHVLOKHSA-N
XLogP4.23
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)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-(3-methoxyphenyl)-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
CID 22583251
3-methyl-5-[2-(5-methylthiophen-2-yl)ethenyl]-4-nitro-1,2-oxazole
CID 71951834
N-[3-methyl-5-[(E)-2-[5-[(3-methylphenyl)sulfamoyl]thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842611
N-(4-acetylphenyl)-2-methyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzenesulfonamide
CID 22583230
ethyl 4-[[2-methyl-5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]phenyl]sulfonylamino]benzoate
CID 22583244
5-[(E)-2-(2,6-dichlorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
CID 6179683
3-methyl-5-[2-(6-methyl-2-pyridinyl)ethenyl]-4-nitro-1,2-oxazole
CID 4204988
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
N-[3-methyl-5-[(E)-2-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]ethenyl]-1,2-oxazol-4-yl]acetamide
CID 50842759
5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
N-[5-[(E)-2-[5-[(2-methoxyphenyl)methylsulfamoyl]thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]acetamide
CID 50842246

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide (CID 22583246) is 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(/C=C/c3onc(C)c3[N+](=O)[O-])s2)cc1.
What is the InChIKey of 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is IUIDHILIXCHBGQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H15N3O5S2/c1-11-3-5-13(6-4-11)19-27(23,24)16-10-8-14(26-16)7-9-15-17(20(21)22)12(2)18-25-15/h3-10,19H,1-2H3/b9-7+.
What are the key properties of 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide?
5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 405.46 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]-N-(4-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 22583246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).