N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide

C19H14N2O3S2 — CID 15981074

IUPACN-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1
InChIInChI=1S/C19H14N2O3S2/c1-26(23,24)21-15-4-2-12-3-5-18-17(19(22)16(12)9-15)8-14(10-20-18)13-6-7-25-11-13/h2-11,21H,1H3
InChIKeySOMXERKTVVUGIZ-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.85
Rot. Bonds3

About N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide

N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide (PubChem CID 15981074) has the molecular formula C19H14N2O3S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
PubChem CID15981074
Molecular FormulaC19H14N2O3S2
Molecular Weight382.47 g/mol
Exact Mass382.04
IUPAC NameN-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1
InChIInChI=1S/C19H14N2O3S2/c1-26(23,24)21-15-4-2-12-3-5-18-17(19(22)16(12)9-15)8-14(10-20-18)13-6-7-25-11-13/h2-11,21H,1H3
InChIKeySOMXERKTVVUGIZ-UHFFFAOYSA-N
XLogP3.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide 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-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
The IUPAC name of N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide (CID 15981074) is N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide.
What is the SMILES notation for N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
The canonical SMILES for N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide is CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccsc4)cc3c(=O)c2c1.
What is the InChIKey of N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
The InChIKey is SOMXERKTVVUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S2/c1-26(23,24)21-15-4-2-12-3-5-18-17(19(22)16(12)9-15)8-14(10-20-18)13-6-7-25-11-13/h2-11,21H,1H3.
What are the key properties of N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide has a molecular weight of 382.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-thiophen-3-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide is sourced from PubChem (CID 15981074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).