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

C22H32N2O5S — CID 167117665

IUPACN-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
SMILESCc1cccc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)CO2
InChIInChI=1S/C22H32N2O5S/c1-15-5-3-7-20-22(15)16-8-10-17(11-9-16)28-13-19-18(23-30(2,26)27)6-4-12-24(19)21(25)14-29-20/h3,5,7,16-19,23H,4,6,8-14H2,1-2H3/t16?,17?,18?,19-/m0/s1
InChIKeyMRIRRFKTHCUIIX-LFVBFMBRSA-N
MW436.57 g/mol
LogP2.34
Rot. Bonds2

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

N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide (PubChem CID 167117665) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
PubChem CID167117665
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
SMILESCc1cccc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)CO2
InChIInChI=1S/C22H32N2O5S/c1-15-5-3-7-20-22(15)16-8-10-17(11-9-16)28-13-19-18(23-30(2,26)27)6-4-12-24(19)21(25)14-29-20/h3,5,7,16-19,23H,4,6,8-14H2,1-2H3/t16?,17?,18?,19-/m0/s1
InChIKeyMRIRRFKTHCUIIX-LFVBFMBRSA-N
XLogP2.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide?
The IUPAC name of N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide (CID 167117665) is N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide.
What is the SMILES notation for N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide?
The canonical SMILES for N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide is Cc1cccc2c1C1CCC(CC1)OC[C@H]1C(NS(C)(=O)=O)CCCN1C(=O)CO2.
What is the InChIKey of N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide?
The InChIKey is MRIRRFKTHCUIIX-LFVBFMBRSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-15-5-3-7-20-22(15)16-8-10-17(11-9-16)28-13-19-18(23-30(2,26)27)6-4-12-24(19)21(25)14-29-20/h3,5,7,16-19,23H,4,6,8-14H2,1-2H3/t16?,17?,18?,19-/m0/s1.
What are the key properties of N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide?
N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide has a molecular weight of 436.57 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(16R)-3-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide is sourced from PubChem (CID 167117665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).