N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide

C20H29N3O5S — CID 167117575

IUPACN-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
SMILESCc1ccnc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCN1C(=O)CO2
InChIInChI=1S/C20H29N3O5S/c1-13-7-9-21-20-19(13)14-3-5-15(6-4-14)27-11-17-16(22-29(2,25)26)8-10-23(17)18(24)12-28-20/h7,9,14-17,22H,3-6,8,10-12H2,1-2H3/t14?,15?,16?,17-/m0/s1
InChIKeyBSATUOXETBWQTB-GZUIOVLMSA-N
MW423.54 g/mol
LogP1.34
Rot. Bonds2

About N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide

N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide (PubChem CID 167117575) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
PubChem CID167117575
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
SMILESCc1ccnc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCN1C(=O)CO2
InChIInChI=1S/C20H29N3O5S/c1-13-7-9-21-20-19(13)14-3-5-15(6-4-14)27-11-17-16(22-29(2,25)26)8-10-23(17)18(24)12-28-20/h7,9,14-17,22H,3-6,8,10-12H2,1-2H3/t14?,15?,16?,17-/m0/s1
InChIKeyBSATUOXETBWQTB-GZUIOVLMSA-N
XLogP1.34
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide?
The IUPAC name of N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide (CID 167117575) is N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide.
What is the SMILES notation for N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide?
The canonical SMILES for N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide is Cc1ccnc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCN1C(=O)CO2.
What is the InChIKey of N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide?
The InChIKey is BSATUOXETBWQTB-GZUIOVLMSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-13-7-9-21-20-19(13)14-3-5-15(6-4-14)27-11-17-16(22-29(2,25)26)8-10-23(17)18(24)12-28-20/h7,9,14-17,22H,3-6,8,10-12H2,1-2H3/t14?,15?,16?,17-/m0/s1.
What are the key properties of N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide?
N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15R)-3-methyl-10-oxo-8,17-dioxa-6,11-diazatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide is sourced from PubChem (CID 167117575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).