N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide

C23H35N3O7S — CID 167080997

IUPACN-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)N2C(=O)OCCOc3cc(OC)cc(n3)C3CCC(CC3)OCC12
InChIInChI=1S/C23H35N3O7S/c1-4-34(28,29)25-20-11-15(2)26-21(20)14-33-17-7-5-16(6-8-17)19-12-18(30-3)13-22(24-19)31-9-10-32-23(26)27/h12-13,15-17,20-21,25H,4-11,14H2,1-3H3
InChIKeyNVDMPLKRZQPXSN-UHFFFAOYSA-N
MW497.61 g/mol
LogP2.43
Rot. Bonds4

About N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide

N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide (PubChem CID 167080997) has the molecular formula C23H35N3O7S and a molecular weight of 497.61 g/mol. Its IUPAC name is N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide
PubChem CID167080997
Molecular FormulaC23H35N3O7S
Molecular Weight497.61 g/mol
Exact Mass497.22
IUPAC NameN-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CC(C)N2C(=O)OCCOc3cc(OC)cc(n3)C3CCC(CC3)OCC12
InChIInChI=1S/C23H35N3O7S/c1-4-34(28,29)25-20-11-15(2)26-21(20)14-33-17-7-5-16(6-8-17)19-12-18(30-3)13-22(24-19)31-9-10-32-23(26)27/h12-13,15-17,20-21,25H,4-11,14H2,1-3H3
InChIKeyNVDMPLKRZQPXSN-UHFFFAOYSA-N
XLogP2.43
TPSA116.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.61
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide?
The IUPAC name of N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide (CID 167080997) is N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide.
What is the SMILES notation for N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide?
The canonical SMILES for N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide is CCS(=O)(=O)NC1CC(C)N2C(=O)OCCOc3cc(OC)cc(n3)C3CCC(CC3)OCC12.
What is the InChIKey of N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide?
The InChIKey is NVDMPLKRZQPXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O7S/c1-4-34(28,29)25-20-11-15(2)26-21(20)14-33-17-7-5-16(6-8-17)19-12-18(30-3)13-22(24-19)31-9-10-32-23(26)27/h12-13,15-17,20-21,25H,4-11,14H2,1-3H3.
What are the key properties of N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide?
N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide has a molecular weight of 497.61 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-13-methyl-11-oxo-7,10,18-trioxa-12,24-diazatetracyclo[17.2.2.12,6.012,16]tetracosa-2(24),3,5-trien-15-yl)ethanesulfonamide is sourced from PubChem (CID 167080997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).