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

C22H32N2O5S — CID 167145840

IUPACN-[(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
SMILESCc1ccc2c(c1)OCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1
InChIInChI=1S/C22H32N2O5S/c1-15-5-10-18-16-6-8-17(9-7-16)28-13-20-19(23-30(2,26)27)4-3-11-24(20)22(25)14-29-21(18)12-15/h5,10,12,16-17,19-20,23H,3-4,6-9,11,13-14H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKeyFAMPYHNIAWZZKW-WXDAQCLHSA-N
MW436.57 g/mol
LogP2.34
Rot. Bonds2

About 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

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 (PubChem CID 167145840) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167145840
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-[(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
SMILESCc1ccc2c(c1)OCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1
InChIInChI=1S/C22H32N2O5S/c1-15-5-10-18-16-6-8-17(9-7-16)28-13-20-19(23-30(2,26)27)4-3-11-24(20)22(25)14-29-21(18)12-15/h5,10,12,16-17,19-20,23H,3-4,6-9,11,13-14H2,1-2H3/t16?,17?,19-,20-/m0/s1
InChIKeyFAMPYHNIAWZZKW-WXDAQCLHSA-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-[(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 with MolForge

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Related Compounds

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-[(18S)-13-oxo-11,21-dioxa-7,9,14-triaza-4-azoniapentacyclo[20.2.2.02,10.04,8.014,19]hexacosa-2,4,7,9-tetraen-18-yl]methanesulfonamide
CID 171608098
N-[(15S)-4-methyl-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]methanesulfonamide
CID 164799193
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
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
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
N-[(17S)-13-oxo-11,20-dioxa-6,7,14-triazapentacyclo[19.2.2.02,10.04,8.014,18]pentacosa-2(10),3,5,8-tetraen-17-yl]methanesulfonamide
CID 166146039
(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-[(15S)-4-chloro-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-trien-15-yl]cyclopropanesulfonamide
CID 164799237
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
(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
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)OCC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1COC1CCC2CC1.
What is the InChIKey of 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?
The InChIKey is FAMPYHNIAWZZKW-WXDAQCLHSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-15-5-10-18-16-6-8-17(9-7-16)28-13-20-19(23-30(2,26)27)4-3-11-24(20)22(25)14-29-21(18)12-15/h5,10,12,16-17,19-20,23H,3-4,6-9,11,13-14H2,1-2H3/t16?,17?,19-,20-/m0/s1.
What are the key properties of 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?
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 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-[(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 is sourced from PubChem (CID 167145840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).