N-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide

C23H34N2O5S — CID 156687839

IUPACN-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
SMILESCC1(C)Oc2ccccc2C2CCC(CC2)OCC2[C@@H](NS(C)(=O)=O)CCCN2C1=O
InChIInChI=1S/C23H34N2O5S/c1-23(2)22(26)25-14-6-8-19(24-31(3,27)28)20(25)15-29-17-12-10-16(11-13-17)18-7-4-5-9-21(18)30-23/h4-5,7,9,16-17,19-20,24H,6,8,10-15H2,1-3H3/t16?,17?,19-,20?/m0/s1
InChIKeyXTOPJAYQRKYHKA-JLYZFGFVSA-N
MW450.60 g/mol
LogP2.81
Rot. Bonds2

About N-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide

N-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide (PubChem CID 156687839) has the molecular formula C23H34N2O5S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[(15S)-9,9-dimethyl-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-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
PubChem CID156687839
Molecular FormulaC23H34N2O5S
Molecular Weight450.60 g/mol
Exact Mass450.22
IUPAC NameN-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
SMILESCC1(C)Oc2ccccc2C2CCC(CC2)OCC2[C@@H](NS(C)(=O)=O)CCCN2C1=O
InChIInChI=1S/C23H34N2O5S/c1-23(2)22(26)25-14-6-8-19(24-31(3,27)28)20(25)15-29-17-12-10-16(11-13-17)18-7-4-5-9-21(18)30-23/h4-5,7,9,16-17,19-20,24H,6,8,10-15H2,1-3H3/t16?,17?,19-,20?/m0/s1
InChIKeyXTOPJAYQRKYHKA-JLYZFGFVSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(15S)-9,9-dimethyl-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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Related Compounds

N-[(15S)-10-oxo-18-oxa-8,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 156687861
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
N-[(15S,16R)-5-methyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 167145840
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543
(2R)-N-(10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl)butane-2-sulfonamide
CID 167117691
N-[(9S,14S)-9-ethyl-8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-trien-14-yl]methanesulfonamide
CID 156687909
1-cyclobutyl-N-[(15S)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799309
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281
(2S)-1,1,1-trifluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 167117757
(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
N-[(16R)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]ethanesulfonamide
CID 167117621

Frequently Asked Questions

What is the IUPAC name of N-[(15S)-9,9-dimethyl-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-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide (CID 156687839) is N-[(15S)-9,9-dimethyl-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-[(15S)-9,9-dimethyl-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-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide is CC1(C)Oc2ccccc2C2CCC(CC2)OCC2[C@@H](NS(C)(=O)=O)CCCN2C1=O.
What is the InChIKey of N-[(15S)-9,9-dimethyl-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 XTOPJAYQRKYHKA-JLYZFGFVSA-N. The full InChI is InChI=1S/C23H34N2O5S/c1-23(2)22(26)25-14-6-8-19(24-31(3,27)28)20(25)15-29-17-12-10-16(11-13-17)18-7-4-5-9-21(18)30-23/h4-5,7,9,16-17,19-20,24H,6,8,10-15H2,1-3H3/t16?,17?,19-,20?/m0/s1.
What are the key properties of N-[(15S)-9,9-dimethyl-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide?
N-[(15S)-9,9-dimethyl-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 450.60 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(15S)-9,9-dimethyl-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 156687839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).