2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C16H16N2O3S2 — CID 20958954

IUPAC2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cccs3)c2)o1
InChIInChI=1S/C16H16N2O3S2/c1-11-5-6-13(15-10-17-12(2)21-15)8-16(11)23(19,20)18-9-14-4-3-7-22-14/h3-8,10,18H,9H2,1-2H3
InChIKeyZRLOJPOAYBHPAU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.50
Rot. Bonds5

About 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 20958954) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID20958954
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cccs3)c2)o1
InChIInChI=1S/C16H16N2O3S2/c1-11-5-6-13(15-10-17-12(2)21-15)8-16(11)23(19,20)18-9-14-4-3-7-22-14/h3-8,10,18H,9H2,1-2H3
InChIKeyZRLOJPOAYBHPAU-UHFFFAOYSA-N
XLogP3.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 20958954) is 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1ncc(-c2ccc(C)c(S(=O)(=O)NCc3cccs3)c2)o1.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is ZRLOJPOAYBHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-11-5-6-13(15-10-17-12(2)21-15)8-16(11)23(19,20)18-9-14-4-3-7-22-14/h3-8,10,18H,9H2,1-2H3.
What are the key properties of 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 348.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-oxazol-5-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20958954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).