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 167080970

IUPAC15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
SMILESCC1CC(NS(=O)(=O)N(C)C)C2COC3CCC(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
InChIKeyAHKAUACERUFWPY-UHFFFAOYSA-N
MW481.62 g/mol
LogP2.49
Rot. Bonds3

About 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

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 167080970) has the molecular formula C23H35N3O6S and a molecular weight of 481.62 g/mol. Its IUPAC name is 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 Name15-(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 CID167080970
Molecular FormulaC23H35N3O6S
Molecular Weight481.62 g/mol
Exact Mass481.22
IUPAC Name15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,10,18-trioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
SMILESCC1CC(NS(=O)(=O)N(C)C)C2COC3CCC(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
InChIKeyAHKAUACERUFWPY-UHFFFAOYSA-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 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 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 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 167080970) is 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 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 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 CC1CC(NS(=O)(=O)N(C)C)C2COC3CCC(CC3)c3cccc(c3)OCCOC(=O)N12.
What is the InChIKey of 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-UHFFFAOYSA-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.
What are the key properties of 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?
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 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 167080970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).