16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

C24H38N4O4S — CID 167081052

IUPAC16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
SMILESCN(C)S(=O)(=O)NC1CCN2C(=O)CCCCNc3cccc(c3)C3CCC(CC3)OCC12
InChIInChI=1S/C24H38N4O4S/c1-27(2)33(30,31)26-22-13-15-28-23(22)17-32-21-11-9-18(10-12-21)19-6-5-7-20(16-19)25-14-4-3-8-24(28)29/h5-7,16,18,21-23,25-26H,3-4,8-15,17H2,1-2H3
InChIKeyLJZMLJBVIVNFCJ-UHFFFAOYSA-N
MW478.66 g/mol
LogP2.69
Rot. Bonds3

About 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene

16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (PubChem CID 167081052) has the molecular formula C24H38N4O4S and a molecular weight of 478.66 g/mol. Its IUPAC name is 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene.

Molecular Properties

Compound Name16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
PubChem CID167081052
Molecular FormulaC24H38N4O4S
Molecular Weight478.66 g/mol
Exact Mass478.26
IUPAC Name16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene
SMILESCN(C)S(=O)(=O)NC1CCN2C(=O)CCCCNc3cccc(c3)C3CCC(CC3)OCC12
InChIInChI=1S/C24H38N4O4S/c1-27(2)33(30,31)26-22-13-15-28-23(22)17-32-21-11-9-18(10-12-21)19-6-5-7-20(16-19)25-14-4-3-8-24(28)29/h5-7,16,18,21-23,25-26H,3-4,8-15,17H2,1-2H3
InChIKeyLJZMLJBVIVNFCJ-UHFFFAOYSA-N
XLogP2.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.66
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The IUPAC name of 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene (CID 167081052) is 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene.
What is the SMILES notation for 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The canonical SMILES for 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene is CN(C)S(=O)(=O)NC1CCN2C(=O)CCCCNc3cccc(c3)C3CCC(CC3)OCC12.
What is the InChIKey of 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
The InChIKey is LJZMLJBVIVNFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4S/c1-27(2)33(30,31)26-22-13-15-28-23(22)17-32-21-11-9-18(10-12-21)19-6-5-7-20(16-19)25-14-4-3-8-24(28)29/h5-7,16,18,21-23,25-26H,3-4,8-15,17H2,1-2H3.
What are the key properties of 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene?
16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene has a molecular weight of 478.66 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(dimethylsulfamoylamino)-12-oxo-19-oxa-7,13-diazatetracyclo[18.2.2.12,6.013,17]pentacosa-2(25),3,5-triene is sourced from PubChem (CID 167081052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).