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

C15H20N2O4S2 — CID 70662045

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide
SMILESCC(CS(=O)(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H20N2O4S2/c1-10(9-23(19,20)13-6-5-7-22-13)14(18)16-12-8-11(21-17-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17,18)
InChIKeySMWJIPJGXKRYGB-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.08
Rot. Bonds5

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide (PubChem CID 70662045) 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-3-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide
PubChem CID70662045
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide
SMILESCC(CS(=O)(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C15H20N2O4S2/c1-10(9-23(19,20)13-6-5-7-22-13)14(18)16-12-8-11(21-17-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17,18)
InChIKeySMWJIPJGXKRYGB-UHFFFAOYSA-N
XLogP3.08
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1245228
N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-sulfonamide
CID 6464902
N-(5-methyl-1,2-oxazol-3-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2330578
N-(5-methyl-3-isoxazolyl)-3-(2-thienyl)acrylamide
CID 845123
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 42940422
Cambridge id 7202822
CID 23972928
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-3-ylacetamide
CID 32623951
N-(5-methyl-1,2-oxazol-3-yl)-2-thiophen-2-ylsulfinylacetamide
CID 75430256
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-fluorophenyl)sulfonyl-2-methylpropanamide
CID 24855971
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-fluorophenyl)sulfonyl-2-methylpropanamide
CID 24856000
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 58198731
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2-methylpropylsulfonyl)propanamide;N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-(2,2,2-trifluoroethylsulfonyl)propanamide
CID 157511220

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide (CID 70662045) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide is CC(CS(=O)(=O)c1cccs1)C(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide?
The InChIKey is SMWJIPJGXKRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-10(9-23(19,20)13-6-5-7-22-13)14(18)16-12-8-11(21-17-12)15(2,3)4/h5-8,10H,9H2,1-4H3,(H,16,17,18).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-3-thiophen-2-ylsulfonylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 3.08, 5 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-3-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 70662045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).