N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

C19H22N4O5S — CID 21046836

IUPACN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(SC)n(C)n3)o2)c(OC)c1
InChIInChI=1S/C19H22N4O5S/c1-23-19(29-5)21-18(22-23)20-17(24)14-7-6-11(28-14)8-13-15(26-3)9-12(25-2)10-16(13)27-4/h6-7,9-10H,8H2,1-5H3,(H,20,22,24)
InChIKeyPGGLJUWVWJUFLC-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.00
Rot. Bonds8

About N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide

N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21046836) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21046836
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(SC)n(C)n3)o2)c(OC)c1
InChIInChI=1S/C19H22N4O5S/c1-23-19(29-5)21-18(22-23)20-17(24)14-7-6-11(28-14)8-13-15(26-3)9-12(25-2)10-16(13)27-4/h6-7,9-10H,8H2,1-5H3,(H,20,22,24)
InChIKeyPGGLJUWVWJUFLC-UHFFFAOYSA-N
XLogP3.00
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21046837
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-(2,4,6-trimethoxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047128
N-acridin-9-yl-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048254
N-(4-methyl-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048045
N-(5-chloro-1,3-thiazol-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048114
N-(5-chloro-2-hydroxyphenyl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048103
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
methyl 3-methyl-4-[[5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carbonyl]amino]benzoate
CID 21046621
N-[4,5-dimethoxy-2-(2H-tetrazol-5-yl)phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047825
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047778

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide (CID 21046836) is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is COc1cc(OC)c(Cc2ccc(C(=O)Nc3nc(SC)n(C)n3)o2)c(OC)c1.
What is the InChIKey of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is PGGLJUWVWJUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-23-19(29-5)21-18(22-23)20-17(24)14-7-6-11(28-14)8-13-15(26-3)9-12(25-2)10-16(13)27-4/h6-7,9-10H,8H2,1-5H3,(H,20,22,24).
What are the key properties of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide?
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21046836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).