N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide

C25H33N3O3S — CID 169296610

IUPACN-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN2C(=O)NCCCCCc3ccccc3-c3cccc(c3)CC12
InChIInChI=1S/C25H33N3O3S/c1-32(30,31)27-23-14-8-16-28-24(23)18-19-9-7-12-21(17-19)22-13-5-4-11-20(22)10-3-2-6-15-26-25(28)29/h4-5,7,9,11-13,17,23-24,27H,2-3,6,8,10,14-16,18H2,1H3,(H,26,29)
InChIKeyZIEOBIMQRCOLJU-UHFFFAOYSA-N
MW455.62 g/mol
LogP3.71
Rot. Bonds2

About N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide

N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide (PubChem CID 169296610) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide
PubChem CID169296610
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN2C(=O)NCCCCCc3ccccc3-c3cccc(c3)CC12
InChIInChI=1S/C25H33N3O3S/c1-32(30,31)27-23-14-8-16-28-24(23)18-19-9-7-12-21(17-19)22-13-5-4-11-20(22)10-3-2-6-15-26-25(28)29/h4-5,7,9,11-13,17,23-24,27H,2-3,6,8,10,14-16,18H2,1H3,(H,26,29)
InChIKeyZIEOBIMQRCOLJU-UHFFFAOYSA-N
XLogP3.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-(11-methyl-12-oxo-11,13-diazatetracyclo[18.3.1.02,7.013,18]tetracosa-1(23),2,4,6,20(24),21-hexaen-17-yl)methanesulfonamide
CID 169296749
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-(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
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
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
1-fluoro-N-[(16S)-6-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]cyclopropane-1-sulfonamide
CID 169173908
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
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
N-(9,9-difluoro-8-oxo-14-phenyl-7-azatricyclo[11.4.0.03,7]heptadeca-1(13),14,16-trien-4-yl)methanesulfonamide
CID 169296714
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

Frequently Asked Questions

What is the IUPAC name of N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide?
The IUPAC name of N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide (CID 169296610) is N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide.
What is the SMILES notation for N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide?
The canonical SMILES for N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide is CS(=O)(=O)NC1CCCN2C(=O)NCCCCCc3ccccc3-c3cccc(c3)CC12.
What is the InChIKey of N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide?
The InChIKey is ZIEOBIMQRCOLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-32(30,31)27-23-14-8-16-28-24(23)18-19-9-7-12-21(17-19)22-13-5-4-11-20(22)10-3-2-6-15-26-25(28)29/h4-5,7,9,11-13,17,23-24,27H,2-3,6,8,10,14-16,18H2,1H3,(H,26,29).
What are the key properties of N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide?
N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide has a molecular weight of 455.62 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(14-oxo-13,15-diazatetracyclo[20.3.1.02,7.015,20]hexacosa-1(25),2,4,6,22(26),23-hexaen-19-yl)methanesulfonamide is sourced from PubChem (CID 169296610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).