N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide

C21H30N4O5S — CID 167117740

IUPACN-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
SMILESO=C1COc2nccnc2C2CCC(CC2)OC[C@H]2C(NS(=O)(=O)C3CC3)CCCN12
InChIInChI=1S/C21H30N4O5S/c26-19-13-30-21-20(22-9-10-23-21)14-3-5-15(6-4-14)29-12-18-17(2-1-11-25(18)19)24-31(27,28)16-7-8-16/h9-10,14-18,24H,1-8,11-13H2/t14?,15?,17?,18-/m0/s1
InChIKeyDMEWQWGLLIMMQY-CSQARDAQSA-N
MW450.56 g/mol
LogP1.35
Rot. Bonds3

About N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide

N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide (PubChem CID 167117740) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
PubChem CID167117740
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC NameN-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide
SMILESO=C1COc2nccnc2C2CCC(CC2)OC[C@H]2C(NS(=O)(=O)C3CC3)CCCN12
InChIInChI=1S/C21H30N4O5S/c26-19-13-30-21-20(22-9-10-23-21)14-3-5-15(6-4-14)29-12-18-17(2-1-11-25(18)19)24-31(27,28)16-7-8-16/h9-10,14-18,24H,1-8,11-13H2/t14?,15?,17?,18-/m0/s1
InChIKeyDMEWQWGLLIMMQY-CSQARDAQSA-N
XLogP1.35
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide?
The IUPAC name of N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide (CID 167117740) is N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide is O=C1COc2nccnc2C2CCC(CC2)OC[C@H]2C(NS(=O)(=O)C3CC3)CCCN12.
What is the InChIKey of N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide?
The InChIKey is DMEWQWGLLIMMQY-CSQARDAQSA-N. The full InChI is InChI=1S/C21H30N4O5S/c26-19-13-30-21-20(22-9-10-23-21)14-3-5-15(6-4-14)29-12-18-17(2-1-11-25(18)19)24-31(27,28)16-7-8-16/h9-10,14-18,24H,1-8,11-13H2/t14?,15?,17?,18-/m0/s1.
What are the key properties of N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide?
N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(16R)-10-oxo-8,18-dioxa-3,6,11-triazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]cyclopropanesulfonamide is sourced from PubChem (CID 167117740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).