4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C17H18N2O3S2 — CID 110675358

IUPAC4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c(C)o1
InChIInChI=1S/C17H18N2O3S2/c1-12-17(19-13(2)22-12)14-5-7-16(8-6-14)24(20,21)18-10-9-15-4-3-11-23-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUFMAPNYCOZSXFW-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.54
Rot. Bonds6

About 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 110675358) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID110675358
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c(C)o1
InChIInChI=1S/C17H18N2O3S2/c1-12-17(19-13(2)22-12)14-5-7-16(8-6-14)24(20,21)18-10-9-15-4-3-11-23-15/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUFMAPNYCOZSXFW-UHFFFAOYSA-N
XLogP3.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(3-phenylpropyl)benzenesulfonamide
CID 110414948
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110632442
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
N-[2-(diethylamino)propyl]-4-(2,5-dimethyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 110620380
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110671451
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-methoxybenzenesulfonamide
CID 110611820
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 50839105
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 110675358) is 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCCc3cccs3)cc2)c(C)o1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is UFMAPNYCOZSXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-12-17(19-13(2)22-12)14-5-7-16(8-6-14)24(20,21)18-10-9-15-4-3-11-23-15/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 362.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110675358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).