2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

C17H27NO4S — CID 15944062

IUPAC2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C17H27NO4S/c1-5-21-16-9-13(4)15(12(2)3)10-17(16)23(19,20)18-11-14-7-6-8-22-14/h9-10,12,14,18H,5-8,11H2,1-4H3
InChIKeyATTZEZLWYOPGLN-UHFFFAOYSA-N
MW341.47 g/mol
LogP2.97
Rot. Bonds7

About 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide

2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (PubChem CID 15944062) has the molecular formula C17H27NO4S and a molecular weight of 341.47 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
PubChem CID15944062
Molecular FormulaC17H27NO4S
Molecular Weight341.47 g/mol
Exact Mass341.17
IUPAC Name2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C17H27NO4S/c1-5-21-16-9-13(4)15(12(2)3)10-17(16)23(19,20)18-11-14-7-6-8-22-14/h9-10,12,14,18H,5-8,11H2,1-4H3
InChIKeyATTZEZLWYOPGLN-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide (CID 15944062) is 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
The InChIKey is ATTZEZLWYOPGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4S/c1-5-21-16-9-13(4)15(12(2)3)10-17(16)23(19,20)18-11-14-7-6-8-22-14/h9-10,12,14,18H,5-8,11H2,1-4H3.
What are the key properties of 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide?
2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide has a molecular weight of 341.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-(oxolan-2-ylmethyl)-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 15944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).