4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide

C18H20N2O3S2 — CID 53057322

IUPAC4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C
InChIInChI=1S/C18H20N2O3S2/c1-10-8-6-7-9-15(10)20-25(21,22)18-14(5)24-13(4)16(18)17-11(2)12(3)19-23-17/h6-9,20H,1-5H3
InChIKeyYSUVEBFPUSJMGO-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.75
Rot. Bonds4

About 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide

4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide (PubChem CID 53057322) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide
PubChem CID53057322
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C
InChIInChI=1S/C18H20N2O3S2/c1-10-8-6-7-9-15(10)20-25(21,22)18-14(5)24-13(4)16(18)17-11(2)12(3)19-23-17/h6-9,20H,1-5H3
InChIKeyYSUVEBFPUSJMGO-UHFFFAOYSA-N
XLogP4.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide (CID 53057322) is 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide is Cc1ccccc1NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C.
What is the InChIKey of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is YSUVEBFPUSJMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-10-8-6-7-9-15(10)20-25(21,22)18-14(5)24-13(4)16(18)17-11(2)12(3)19-23-17/h6-9,20H,1-5H3.
What are the key properties of 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide?
4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 376.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethyl-1,2-oxazol-5-yl)-2,5-dimethyl-N-(2-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).