N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide

C22H26N2O5S — CID 169296528

IUPACN-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN2C(=O)OCCOc3ccccc3-c3cccc(c3)CC12
InChIInChI=1S/C22H26N2O5S/c1-2-30(26,27)23-19-10-11-24-20(19)15-16-6-5-7-17(14-16)18-8-3-4-9-21(18)28-12-13-29-22(24)25/h3-9,14,19-20,23H,2,10-13,15H2,1H3
InChIKeyQFWHGOKOOLUCNR-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.81
Rot. Bonds3

About N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide

N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide (PubChem CID 169296528) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide
PubChem CID169296528
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN2C(=O)OCCOc3ccccc3-c3cccc(c3)CC12
InChIInChI=1S/C22H26N2O5S/c1-2-30(26,27)23-19-10-11-24-20(19)15-16-6-5-7-17(14-16)18-8-3-4-9-21(18)28-12-13-29-22(24)25/h3-9,14,19-20,23H,2,10-13,15H2,1H3
InChIKeyQFWHGOKOOLUCNR-UHFFFAOYSA-N
XLogP2.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide with MolForge

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Related Compounds

N-(12-oxo-11-oxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 169296569
N-(14-oxo-8-oxa-13,15-diazapentacyclo[19.3.1.02,7.010,13.015,19]pentacosa-1(24),2,4,6,21(25),22-hexaen-18-yl)methanesulfonamide
CID 170293109
N-[(17R,18R)-12-oxo-8-oxa-11,13-diazatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaen-17-yl]methanesulfonamide
CID 169296628
1,1-difluoro-N-[(16S,17S)-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]methanesulfonamide
CID 170199531
N-(8-oxo-14-phenyl-9,12-dioxa-7-azatricyclo[11.4.0.03,7]heptadeca-1(13),14,16-trien-4-yl)methanesulfonamide
CID 169296637
N-[(3R,4R)-8-oxo-16-phenyl-14-oxa-7-azatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-trien-4-yl]ethanesulfonamide
CID 169296664
1-fluoro-N-[(16S,17S)-4-fluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2(7),3,5,19(23),20-hexaen-16-yl]methanesulfonamide
CID 169296514
1-fluoro-N-[(15S,16R,17S)-15-fluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]cyclopropane-1-sulfonamide
CID 176836328
N-[(16R,17S)-15,15-difluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl]-1-fluoromethanesulfonamide
CID 169173859
N-(10-methyl-11-oxo-10,12-diazatetracyclo[16.3.1.02,7.012,16]docosa-1(21),2,4,6,18(22),19-hexaen-15-yl)methanesulfonamide
CID 169296685
1-fluoro-N-(23-fluoro-11-methyl-12-oxo-8-oxa-11,13-diazatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)methanesulfonamide
CID 170199965
N-(15,15-difluoro-11-oxo-8-oxa-12-azatetracyclo[17.3.1.02,7.012,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)-1,1-difluoromethanesulfonamide
CID 170199859

Frequently Asked Questions

What is the IUPAC name of N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide?
The IUPAC name of N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide (CID 169296528) is N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide.
What is the SMILES notation for N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide?
The canonical SMILES for N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCN2C(=O)OCCOc3ccccc3-c3cccc(c3)CC12.
What is the InChIKey of N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide?
The InChIKey is QFWHGOKOOLUCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-2-30(26,27)23-19-10-11-24-20(19)15-16-6-5-7-17(14-16)18-8-3-4-9-21(18)28-12-13-29-22(24)25/h3-9,14,19-20,23H,2,10-13,15H2,1H3.
What are the key properties of N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide?
N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-oxo-8,11-dioxa-13-azatetracyclo[17.3.1.02,7.013,17]tricosa-1(22),2,4,6,19(23),20-hexaen-16-yl)ethanesulfonamide is sourced from PubChem (CID 169296528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).