(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene

C23H35N3O6S — CID 165112035

IUPAC(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
SMILESC[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCOC(=O)N12
InChIInChI=1S/C23H35N3O6S/c1-16-13-21(24-33(28,29)25(2)3)22-15-32-19-9-7-17(8-10-19)18-5-4-6-20(14-18)30-11-12-31-23(27)26(16)22/h4-6,14,16-17,19,21-22,24H,7-13,15H2,1-3H3/t16-,17?,19?,21+,22+/m1/s1
InChIKeyAHKAUACERUFWPY-UHNQRMSVSA-N
MW481.62 g/mol
LogP2.49
Rot. Bonds3

About (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene

(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene (PubChem CID 165112035) has the molecular formula C23H35N3O6S and a molecular weight of 481.62 g/mol. Its IUPAC name is (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene.

Molecular Properties

Compound Name(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
PubChem CID165112035
Molecular FormulaC23H35N3O6S
Molecular Weight481.62 g/mol
Exact Mass481.22
IUPAC Name(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
SMILESC[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCOC(=O)N12
InChIInChI=1S/C23H35N3O6S/c1-16-13-21(24-33(28,29)25(2)3)22-15-32-19-9-7-17(8-10-19)18-5-4-6-20(14-18)30-11-12-31-23(27)26(16)22/h4-6,14,16-17,19,21-22,24H,7-13,15H2,1-3H3/t16-,17?,19?,21+,22+/m1/s1
InChIKeyAHKAUACERUFWPY-UHNQRMSVSA-N
XLogP2.49
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
The IUPAC name of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene (CID 165112035) is (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene.
What is the SMILES notation for (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
The canonical SMILES for (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene is C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)[C@@H]2COC3CCC(CC3)c3cccc(c3)OCCOC(=O)N12.
What is the InChIKey of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
The InChIKey is AHKAUACERUFWPY-UHNQRMSVSA-N. The full InChI is InChI=1S/C23H35N3O6S/c1-16-13-21(24-33(28,29)25(2)3)22-15-32-19-9-7-17(8-10-19)18-5-4-6-20(14-18)30-11-12-31-23(27)26(16)22/h4-6,14,16-17,19,21-22,24H,7-13,15H2,1-3H3/t16-,17?,19?,21+,22+/m1/s1.
What are the key properties of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene has a molecular weight of 481.62 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene is sourced from PubChem (CID 165112035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).