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

C24H35N3O6S — CID 171716945

IUPACN-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
SMILESCc1ccnc2c1C1CCC(CC1)OC[C@H]1[C@@H](NS(=O)(=O)C3CCOC3)CCCN1C(=O)CO2
InChIInChI=1S/C24H35N3O6S/c1-16-8-10-25-24-23(16)17-4-6-18(7-5-17)32-14-21-20(3-2-11-27(21)22(28)15-33-24)26-34(29,30)19-9-12-31-13-19/h8,10,17-21,26H,2-7,9,11-15H2,1H3/t17?,18?,19?,20-,21-/m0/s1
InChIKeyROEBCRAHDKGDCO-VYJKVFMHSA-N
MW493.63 g/mol
LogP1.89
Rot. Bonds3

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

N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide (PubChem CID 171716945) has the molecular formula C24H35N3O6S and a molecular weight of 493.63 g/mol. Its IUPAC name is N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide.

Molecular Properties

Compound NameN-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
PubChem CID171716945
Molecular FormulaC24H35N3O6S
Molecular Weight493.63 g/mol
Exact Mass493.22
IUPAC NameN-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
SMILESCc1ccnc2c1C1CCC(CC1)OC[C@H]1[C@@H](NS(=O)(=O)C3CCOC3)CCCN1C(=O)CO2
InChIInChI=1S/C24H35N3O6S/c1-16-8-10-25-24-23(16)17-4-6-18(7-5-17)32-14-21-20(3-2-11-27(21)22(28)15-33-24)26-34(29,30)19-9-12-31-13-19/h8,10,17-21,26H,2-7,9,11-15H2,1H3/t17?,18?,19?,20-,21-/m0/s1
InChIKeyROEBCRAHDKGDCO-VYJKVFMHSA-N
XLogP1.89
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[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 N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The IUPAC name of N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide (CID 171716945) is N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide.
What is the SMILES notation for N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The canonical SMILES for N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide is Cc1ccnc2c1C1CCC(CC1)OC[C@H]1[C@@H](NS(=O)(=O)C3CCOC3)CCCN1C(=O)CO2.
What is the InChIKey of N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
The InChIKey is ROEBCRAHDKGDCO-VYJKVFMHSA-N. The full InChI is InChI=1S/C24H35N3O6S/c1-16-8-10-25-24-23(16)17-4-6-18(7-5-17)32-14-21-20(3-2-11-27(21)22(28)15-33-24)26-34(29,30)19-9-12-31-13-19/h8,10,17-21,26H,2-7,9,11-15H2,1H3/t17?,18?,19?,20-,21-/m0/s1.
What are the key properties of N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide?
N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide has a molecular weight of 493.63 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15S,16R)-3-methyl-10-oxo-8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide is sourced from PubChem (CID 171716945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).