N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide

C20H29N5O3S — CID 78323706

IUPACN-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide
SMILESCCN1CN(C2CCC(CN(C)S(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
InChIInChI=1S/C20H29N5O3S/c1-4-24-13-25(15-7-5-14(6-8-15)12-23(2)29(3,27)28)18-16-9-10-21-19(16)22-11-17(18)20(24)26/h9-11,14-15H,4-8,12-13H2,1-3H3,(H,21,22)
InChIKeyHFTQJUIJBKJRDK-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.25
Rot. Bonds5

About N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide

N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide (PubChem CID 78323706) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide
PubChem CID78323706
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC NameN-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide
SMILESCCN1CN(C2CCC(CN(C)S(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
InChIInChI=1S/C20H29N5O3S/c1-4-24-13-25(15-7-5-14(6-8-15)12-23(2)29(3,27)28)18-16-9-10-21-19(16)22-11-17(18)20(24)26/h9-11,14-15H,4-8,12-13H2,1-3H3,(H,21,22)
InChIKeyHFTQJUIJBKJRDK-UHFFFAOYSA-N
XLogP2.25
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide 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 N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide (CID 78323706) is N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide is CCN1CN(C2CCC(CN(C)S(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O.
What is the InChIKey of N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide?
The InChIKey is HFTQJUIJBKJRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-4-24-13-25(15-7-5-14(6-8-15)12-23(2)29(3,27)28)18-16-9-10-21-19(16)22-11-17(18)20(24)26/h9-11,14-15H,4-8,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide?
N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(11-ethyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 78323706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).