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

C24H34N2O6S — CID 167145888

IUPAC(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
SMILESO=C1COc2ccccc2C2CCC(CC2)OC[C@H]2[C@@H](NS(=O)(=O)[C@@H]3CCOC3)CCCN12
InChIInChI=1S/C24H34N2O6S/c27-24-16-32-23-6-2-1-4-20(23)17-7-9-18(10-8-17)31-15-22-21(5-3-12-26(22)24)25-33(28,29)19-11-13-30-14-19/h1-2,4,6,17-19,21-22,25H,3,5,7-16H2/t17?,18?,19-,21+,22+/m1/s1
InChIKeyYBVRUTHQQDADLE-QIVCOSFXSA-N
MW478.61 g/mol
LogP2.19
Rot. Bonds3

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

(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide (PubChem CID 167145888) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
PubChem CID167145888
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC Name(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
SMILESO=C1COc2ccccc2C2CCC(CC2)OC[C@H]2[C@@H](NS(=O)(=O)[C@@H]3CCOC3)CCCN12
InChIInChI=1S/C24H34N2O6S/c27-24-16-32-23-6-2-1-4-20(23)17-7-9-18(10-8-17)31-15-22-21(5-3-12-26(22)24)25-33(28,29)19-11-13-30-14-19/h1-2,4,6,17-19,21-22,25H,3,5,7-16H2/t17?,18?,19-,21+,22+/m1/s1
InChIKeyYBVRUTHQQDADLE-QIVCOSFXSA-N
XLogP2.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The IUPAC name of (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide (CID 167145888) is (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide.
What is the SMILES notation for (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The canonical SMILES for (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide is O=C1COc2ccccc2C2CCC(CC2)OC[C@H]2[C@@H](NS(=O)(=O)[C@@H]3CCOC3)CCCN12.
What is the InChIKey of (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The InChIKey is YBVRUTHQQDADLE-QIVCOSFXSA-N. The full InChI is InChI=1S/C24H34N2O6S/c27-24-16-32-23-6-2-1-4-20(23)17-7-9-18(10-8-17)31-15-22-21(5-3-12-26(22)24)25-33(28,29)19-11-13-30-14-19/h1-2,4,6,17-19,21-22,25H,3,5,7-16H2/t17?,18?,19-,21+,22+/m1/s1.
What are the key properties of (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide has a molecular weight of 478.61 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 167145888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).