(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide

C25H28N2O5S — CID 164571549

IUPAC(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
SMILESCCOc1ccc(CC)cc1[C@@]1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CCCO1
InChIInChI=1S/C25H28N2O5S/c1-4-18-11-13-22(31-5-2)20(16-18)25(14-7-15-32-25)24(28)27-33(29,30)23-9-6-8-21-19(23)12-10-17(3)26-21/h6,8-13,16H,4-5,7,14-15H2,1-3H3,(H,27,28)/t25-/m1/s1
InChIKeyOMCAWBDDKXFVML-RUZDIDTESA-N
MW468.58 g/mol
LogP4.02
Rot. Bonds7

About (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide

(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide (PubChem CID 164571549) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
PubChem CID164571549
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
SMILESCCOc1ccc(CC)cc1[C@@]1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CCCO1
InChIInChI=1S/C25H28N2O5S/c1-4-18-11-13-22(31-5-2)20(16-18)25(14-7-15-32-25)24(28)27-33(29,30)23-9-6-8-21-19(23)12-10-17(3)26-21/h6,8-13,16H,4-5,7,14-15H2,1-3H3,(H,27,28)/t25-/m1/s1
InChIKeyOMCAWBDDKXFVML-RUZDIDTESA-N
XLogP4.02
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide?
The IUPAC name of (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide (CID 164571549) is (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide?
The canonical SMILES for (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide is CCOc1ccc(CC)cc1[C@@]1(C(=O)NS(=O)(=O)c2cccc3nc(C)ccc23)CCCO1.
What is the InChIKey of (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide?
The InChIKey is OMCAWBDDKXFVML-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-4-18-11-13-22(31-5-2)20(16-18)25(14-7-15-32-25)24(28)27-33(29,30)23-9-6-8-21-19(23)12-10-17(3)26-21/h6,8-13,16H,4-5,7,14-15H2,1-3H3,(H,27,28)/t25-/m1/s1.
What are the key properties of (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide?
(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide is sourced from PubChem (CID 164571549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).