5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide

C17H18N2O3S2 — CID 53102818

IUPAC5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c(C)c1
InChIInChI=1S/C17H18N2O3S2/c1-10-7-11(2)17(12(3)8-10)19-24(20,21)16-6-5-15(23-16)14-9-18-13(4)22-14/h5-9,19H,1-4H3
InChIKeyMLFOXJFGWFDULA-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.44
Rot. Bonds4

About 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide

5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (PubChem CID 53102818) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
PubChem CID53102818
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC Name5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
SMILESCc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c(C)c1
InChIInChI=1S/C17H18N2O3S2/c1-10-7-11(2)17(12(3)8-10)19-24(20,21)16-6-5-15(23-16)14-9-18-13(4)22-14/h5-9,19H,1-4H3
InChIKeyMLFOXJFGWFDULA-UHFFFAOYSA-N
XLogP4.44
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53103014
N-(3,4-dimethoxyphenyl)-5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 53102768
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,3-dimethylphenyl)thiophene-2-sulfonamide
CID 53103093
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
N-(1,3-benzodioxol-5-yl)-5-(2-ethyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 169284611
methyl 5-(2-methyl-1,3-oxazol-5-yl)thiophene-2-carboxylate
CID 14871937
5-chloro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22202764
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53102955
N-(2-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936284

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide (CID 53102818) is 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is Cc1cc(C)c(NS(=O)(=O)c2ccc(-c3cnc(C)o3)s2)c(C)c1.
What is the InChIKey of 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
The InChIKey is MLFOXJFGWFDULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-10-7-11(2)17(12(3)8-10)19-24(20,21)16-6-5-15(23-16)14-9-18-13(4)22-14/h5-9,19H,1-4H3.
What are the key properties of 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide?
5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53102818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).