N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide

C15H20N2O4S2 — CID 58198523

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccsc2)no1
InChIInChI=1S/C15H20N2O4S2/c1-14(2,3)11-8-12(17-21-11)16-13(18)15(4,5)23(19,20)10-6-7-22-9-10/h6-9H,1-5H3,(H,16,17,18)
InChIKeyWIWCQLGGWKUGOW-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.22
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide (PubChem CID 58198523) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide
PubChem CID58198523
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccsc2)no1
InChIInChI=1S/C15H20N2O4S2/c1-14(2,3)11-8-12(17-21-11)16-13(18)15(4,5)23(19,20)10-6-7-22-9-10/h6-9H,1-5H3,(H,16,17,18)
InChIKeyWIWCQLGGWKUGOW-UHFFFAOYSA-N
XLogP3.22
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide (CID 58198523) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccsc2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide?
The InChIKey is WIWCQLGGWKUGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-14(2,3)11-8-12(17-21-11)16-13(18)15(4,5)23(19,20)10-6-7-22-9-10/h6-9H,1-5H3,(H,16,17,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-3-ylsulfonylpropanamide is sourced from PubChem (CID 58198523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).