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

C15H20N2O4S2 — CID 58198655

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccs2)no1
InChIInChI=1S/C15H20N2O4S2/c1-14(2,3)10-9-11(17-21-10)16-13(18)15(4,5)23(19,20)12-7-6-8-22-12/h6-9H,1-5H3,(H,16,17,18)
InChIKeyBENZKCDPNCHJFG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.22
Rot. Bonds4

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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide (PubChem CID 58198655) 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-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide
PubChem CID58198655
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccs2)no1
InChIInChI=1S/C15H20N2O4S2/c1-14(2,3)10-9-11(17-21-10)16-13(18)15(4,5)23(19,20)12-7-6-8-22-12/h6-9H,1-5H3,(H,16,17,18)
InChIKeyBENZKCDPNCHJFG-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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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
4-[(ethylamino)sulfonyl]-N-(5-methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 6504157
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-(2,5-difluorophenyl)sulfonyl-2-methylpropanamide
CID 24855904
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

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide (CID 58198655) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2cccs2)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-ylsulfonylpropanamide?
The InChIKey is BENZKCDPNCHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-14(2,3)10-9-11(17-21-10)16-13(18)15(4,5)23(19,20)12-7-6-8-22-12/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-2-ylsulfonylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-thiophen-2-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-2-ylsulfonylpropanamide is sourced from PubChem (CID 58198655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).