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

C22H18N2O3S — CID 53309972

IUPACN-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
SMILESCN(c1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1)S(C)(=O)=O
InChIInChI=1S/C22H18N2O3S/c1-24(28(2,26)27)18-10-8-16-9-11-21-20(22(25)19(16)13-18)12-17(14-23-21)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyGPWWVBNKGJTHFN-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.81
Rot. Bonds3

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

N-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide (PubChem CID 53309972) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-5-phenyl-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-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
PubChem CID53309972
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
SMILESCN(c1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1)S(C)(=O)=O
InChIInChI=1S/C22H18N2O3S/c1-24(28(2,26)27)18-10-8-16-9-11-21-20(22(25)19(16)13-18)12-17(14-23-21)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyGPWWVBNKGJTHFN-UHFFFAOYSA-N
XLogP3.81
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-5-phenyl-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-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide (CID 53309972) is N-methyl-N-(2-oxo-5-phenyl-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-methyl-N-(2-oxo-5-phenyl-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-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide is CN(c1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
The InChIKey is GPWWVBNKGJTHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-24(28(2,26)27)18-10-8-16-9-11-21-20(22(25)19(16)13-18)12-17(14-23-21)15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of N-methyl-N-(2-oxo-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide?
N-methyl-N-(2-oxo-5-phenyl-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 390.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-5-phenyl-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 53309972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).