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

C24H37N3O5S — CID 165112034

IUPAC(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-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)OCCCC(=O)N12
InChIInChI=1S/C24H37N3O5S/c1-17-14-22(25-33(29,30)26(2)3)23-16-32-20-11-9-18(10-12-20)19-6-4-7-21(15-19)31-13-5-8-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1
InChIKeyMPUPMAMATIQRHH-DPILDVQXSA-N
MW479.64 g/mol
LogP2.66
Rot. Bonds3

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

(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene (PubChem CID 165112034) has the molecular formula C24H37N3O5S and a molecular weight of 479.64 g/mol. Its IUPAC name is (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-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-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene
PubChem CID165112034
Molecular FormulaC24H37N3O5S
Molecular Weight479.64 g/mol
Exact Mass479.25
IUPAC Name(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-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)OCCCC(=O)N12
InChIInChI=1S/C24H37N3O5S/c1-17-14-22(25-33(29,30)26(2)3)23-16-32-20-11-9-18(10-12-20)19-6-4-7-21(15-19)31-13-5-8-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1
InChIKeyMPUPMAMATIQRHH-DPILDVQXSA-N
XLogP2.66
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-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-7,18-dioxa-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-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene (CID 165112034) is (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-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-7,18-dioxa-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-7,18-dioxa-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)OCCCC(=O)N12.
What is the InChIKey of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
The InChIKey is MPUPMAMATIQRHH-DPILDVQXSA-N. The full InChI is InChI=1S/C24H37N3O5S/c1-17-14-22(25-33(29,30)26(2)3)23-16-32-20-11-9-18(10-12-20)19-6-4-7-21(15-19)31-13-5-8-24(28)27(17)23/h4,6-7,15,17-18,20,22-23,25H,5,8-14,16H2,1-3H3/t17-,18?,20?,22+,23+/m1/s1.
What are the key properties of (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene?
(13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene has a molecular weight of 479.64 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (13R,15S,16R)-15-(dimethylsulfamoylamino)-13-methyl-11-oxo-7,18-dioxa-12-azatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-triene is sourced from PubChem (CID 165112034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).