5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide

C27H30N6O6S — CID 10120568

IUPAC5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide
SMILESCCN1c2ncc(CCOc3cccc4c3CCS(=O)(=O)N4C(=O)N(C)OC)cc2C(=O)N(C)c2cccnc21
InChIInChI=1S/C27H30N6O6S/c1-5-32-24-20(26(34)30(2)22-9-7-13-28-25(22)32)16-18(17-29-24)11-14-39-23-10-6-8-21-19(23)12-15-40(36,37)33(21)27(35)31(3)38-4/h6-10,13,16-17H,5,11-12,14-15H2,1-4H3
InChIKeyGLHJOBFSNYWNMT-UHFFFAOYSA-N
MW566.64 g/mol
LogP3.15
Rot. Bonds6

About 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide

5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide (PubChem CID 10120568) has the molecular formula C27H30N6O6S and a molecular weight of 566.64 g/mol. Its IUPAC name is 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide
PubChem CID10120568
Molecular FormulaC27H30N6O6S
Molecular Weight566.64 g/mol
Exact Mass566.19
IUPAC Name5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide
SMILESCCN1c2ncc(CCOc3cccc4c3CCS(=O)(=O)N4C(=O)N(C)OC)cc2C(=O)N(C)c2cccnc21
InChIInChI=1S/C27H30N6O6S/c1-5-32-24-20(26(34)30(2)22-9-7-13-28-25(22)32)16-18(17-29-24)11-14-39-23-10-6-8-21-19(23)12-15-40(36,37)33(21)27(35)31(3)38-4/h6-10,13,16-17H,5,11-12,14-15H2,1-4H3
InChIKeyGLHJOBFSNYWNMT-UHFFFAOYSA-N
XLogP3.15
TPSA125.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.64
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide (CID 10120568) is 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide is CCN1c2ncc(CCOc3cccc4c3CCS(=O)(=O)N4C(=O)N(C)OC)cc2C(=O)N(C)c2cccnc21.
What is the InChIKey of 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide?
The InChIKey is GLHJOBFSNYWNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O6S/c1-5-32-24-20(26(34)30(2)22-9-7-13-28-25(22)32)16-18(17-29-24)11-14-39-23-10-6-8-21-19(23)12-15-40(36,37)33(21)27(35)31(3)38-4/h6-10,13,16-17H,5,11-12,14-15H2,1-4H3.
What are the key properties of 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide?
5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide has a molecular weight of 566.64 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)ethoxy]-N-methoxy-N-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazine-1-carboxamide is sourced from PubChem (CID 10120568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).