N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide

C23H24N4O5S — CID 135340215

IUPACN-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(OC)c1-n1c(CNS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccc(C)o1
InChIInChI=1S/C23H24N4O5S/c1-15-8-11-17(12-9-15)33(28,29)24-14-21-25-26-23(20-13-10-16(2)32-20)27(21)22-18(30-3)6-5-7-19(22)31-4/h5-13,24H,14H2,1-4H3
InChIKeyCQRIDIWWPMQNAE-UHFFFAOYSA-N
MW468.54 g/mol
LogP3.64
Rot. Bonds8

About N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide

N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 135340215) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID135340215
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC NameN-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1cccc(OC)c1-n1c(CNS(=O)(=O)c2ccc(C)cc2)nnc1-c1ccc(C)o1
InChIInChI=1S/C23H24N4O5S/c1-15-8-11-17(12-9-15)33(28,29)24-14-21-25-26-23(20-13-10-16(2)32-20)27(21)22-18(30-3)6-5-7-19(22)31-4/h5-13,24H,14H2,1-4H3
InChIKeyCQRIDIWWPMQNAE-UHFFFAOYSA-N
XLogP3.64
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide (CID 135340215) is N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide is COc1cccc(OC)c1-n1c(CNS(=O)(=O)c2ccc(C)cc2)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]methyl]-4-methylbenzenesulfonamide?
The InChIKey is CQRIDIWWPMQNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-15-8-11-17(12-9-15)33(28,29)24-14-21-25-26-23(20-13-10-16(2)32-20)27(21)22-18(30-3)6-5-7-19(22)31-4/h5-13,24H,14H2,1-4H3.
What are the key properties of N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide?
N-[[4-(2,6-dimethoxyphenyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 468.54 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135340215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).