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

C19H22N4O2S — CID 21046837

IUPACN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCSc1nc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nn1C
InChIInChI=1S/C19H22N4O2S/c1-11-8-12(2)15(13(3)9-11)10-14-6-7-16(25-14)17(24)20-18-21-19(26-5)23(4)22-18/h6-9H,10H2,1-5H3,(H,20,22,24)
InChIKeyGRWOSCBDUKDAHX-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.90
Rot. Bonds5

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

N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21046837) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
PubChem CID21046837
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
SMILESCSc1nc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nn1C
InChIInChI=1S/C19H22N4O2S/c1-11-8-12(2)15(13(3)9-11)10-14-6-7-16(25-14)17(24)20-18-21-19(26-5)23(4)22-18/h6-9H,10H2,1-5H3,(H,20,22,24)
InChIKeyGRWOSCBDUKDAHX-UHFFFAOYSA-N
XLogP3.90
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21046836
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048084
N-(2-hydroxy-6-methylphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047427
ethyl 4-methyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]pyrimidine-5-carboxylate
CID 21046433
N-[5-(hydroxymethyl)-2-methylphenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048133
N-(4-methyl-1,3-benzothiazol-2-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048030
N-(2-acetyl-4,5-dimethoxyphenyl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047245
ethyl 2-[2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046463
N-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047779
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
N-(6-nitroquinolin-5-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21048231

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide (CID 21046837) is N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)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-trimethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide is CSc1nc(NC(=O)c2ccc(Cc3c(C)cc(C)cc3C)o2)nn1C.
What is the InChIKey of N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is GRWOSCBDUKDAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-8-12(2)15(13(3)9-11)10-14-6-7-16(25-14)17(24)20-18-21-19(26-5)23(4)22-18/h6-9H,10H2,1-5H3,(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-trimethylphenyl)methyl]furan-2-carboxamide?
N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-trimethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21046837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).