N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide

C24H22N4O3S — CID 155901375

IUPACN-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide
SMILESCNC(=O)c1c2n(c3ncccc13)CCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C24H22N4O3S/c1-25-24(29)22-20-8-5-13-26-23(20)28-15-14-27(16-21(22)28)32(30,31)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,25,29)
InChIKeyHSGZLXIRBJLHCC-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.27
Rot. Bonds4

About N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide

N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide (PubChem CID 155901375) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide
PubChem CID155901375
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC NameN-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide
SMILESCNC(=O)c1c2n(c3ncccc13)CCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C24H22N4O3S/c1-25-24(29)22-20-8-5-13-26-23(20)28-15-14-27(16-21(22)28)32(30,31)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,25,29)
InChIKeyHSGZLXIRBJLHCC-UHFFFAOYSA-N
XLogP3.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-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 N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide?
The IUPAC name of N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide (CID 155901375) is N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide.
What is the SMILES notation for N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide?
The canonical SMILES for N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide is CNC(=O)c1c2n(c3ncccc13)CCN(S(=O)(=O)c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide?
The InChIKey is HSGZLXIRBJLHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-25-24(29)22-20-8-5-13-26-23(20)28-15-14-27(16-21(22)28)32(30,31)19-11-9-18(10-12-19)17-6-3-2-4-7-17/h2-13H,14-16H2,1H3,(H,25,29).
What are the key properties of N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide?
N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-11-(4-phenylphenyl)sulfonyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-8-carboxamide is sourced from PubChem (CID 155901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).