N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide

C23H30N6O6S — CID 134543483

IUPACN-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
SMILESCOc1cccc(OC)c1-n1c(NS(=O)(=O)CCN2C(=O)N(C)CC[C@H]2C)nnc1-c1ccc(C)o1
InChIInChI=1S/C23H30N6O6S/c1-15-11-12-27(3)23(30)28(15)13-14-36(31,32)26-22-25-24-21(19-10-9-16(2)35-19)29(22)20-17(33-4)7-6-8-18(20)34-5/h6-10,15H,11-14H2,1-5H3,(H,25,26)/t15-/m1/s1
InChIKeyIJUMSXRMJLCNKA-OAHLLOKOSA-N
MW518.60 g/mol
LogP2.74
Rot. Bonds9

About N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide

N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide (PubChem CID 134543483) has the molecular formula C23H30N6O6S and a molecular weight of 518.60 g/mol. Its IUPAC name is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
PubChem CID134543483
Molecular FormulaC23H30N6O6S
Molecular Weight518.60 g/mol
Exact Mass518.19
IUPAC NameN-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
SMILESCOc1cccc(OC)c1-n1c(NS(=O)(=O)CCN2C(=O)N(C)CC[C@H]2C)nnc1-c1ccc(C)o1
InChIInChI=1S/C23H30N6O6S/c1-15-11-12-27(3)23(30)28(15)13-14-36(31,32)26-22-25-24-21(19-10-9-16(2)35-19)29(22)20-17(33-4)7-6-8-18(20)34-5/h6-10,15H,11-14H2,1-5H3,(H,25,26)/t15-/m1/s1
InChIKeyIJUMSXRMJLCNKA-OAHLLOKOSA-N
XLogP2.74
TPSA132.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.60
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide 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-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The IUPAC name of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide (CID 134543483) is N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide.
What is the SMILES notation for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The canonical SMILES for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide is COc1cccc(OC)c1-n1c(NS(=O)(=O)CCN2C(=O)N(C)CC[C@H]2C)nnc1-c1ccc(C)o1.
What is the InChIKey of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
The InChIKey is IJUMSXRMJLCNKA-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30N6O6S/c1-15-11-12-27(3)23(30)28(15)13-14-36(31,32)26-22-25-24-21(19-10-9-16(2)35-19)29(22)20-17(33-4)7-6-8-18(20)34-5/h6-10,15H,11-14H2,1-5H3,(H,25,26)/t15-/m1/s1.
What are the key properties of N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide?
N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide has a molecular weight of 518.60 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide is sourced from PubChem (CID 134543483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).