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

C16H16N2O3S2 — CID 53057157

IUPAC2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C16H16N2O3S2/c1-10-5-4-6-13(9-10)18-23(19,20)16-12(3)22-11(2)15(16)14-7-8-17-21-14/h4-9,18H,1-3H3
InChIKeyGKFXLNPWDDKGGY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.13
Rot. Bonds4

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

2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057157) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057157
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C16H16N2O3S2/c1-10-5-4-6-13(9-10)18-23(19,20)16-12(3)22-11(2)15(16)14-7-8-17-21-14/h4-9,18H,1-3H3
InChIKeyGKFXLNPWDDKGGY-UHFFFAOYSA-N
XLogP4.13
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057157) is 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cccc(NS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is GKFXLNPWDDKGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-5-4-6-13(9-10)18-23(19,20)16-12(3)22-11(2)15(16)14-7-8-17-21-14/h4-9,18H,1-3H3.
What are the key properties of 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).