N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide

C17H24N2O4S2 — CID 58198607

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)c(C)s1
InChIInChI=1S/C17H24N2O4S2/c1-10-8-12(11(2)24-10)25(21,22)17(6,7)15(20)18-14-9-13(23-19-14)16(3,4)5/h8-9H,1-7H3,(H,18,19,20)
InChIKeyVHIQRUWNQOFHKT-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.84
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide (PubChem CID 58198607) has the molecular formula C17H24N2O4S2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
PubChem CID58198607
Molecular FormulaC17H24N2O4S2
Molecular Weight384.52 g/mol
Exact Mass384.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)c(C)s1
InChIInChI=1S/C17H24N2O4S2/c1-10-8-12(11(2)24-10)25(21,22)17(6,7)15(20)18-14-9-13(23-19-14)16(3,4)5/h8-9H,1-7H3,(H,18,19,20)
InChIKeyVHIQRUWNQOFHKT-UHFFFAOYSA-N
XLogP3.84
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.84
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-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide (CID 58198607) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide is Cc1cc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)c(C)s1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide?
The InChIKey is VHIQRUWNQOFHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S2/c1-10-8-12(11(2)24-10)25(21,22)17(6,7)15(20)18-14-9-13(23-19-14)16(3,4)5/h8-9H,1-7H3,(H,18,19,20).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide has a molecular weight of 384.52 g/mol, XLogP of 3.84, 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-(2,5-dimethylthiophen-3-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 58198607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).