N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

C23H22N4O3S — CID 11719024

IUPACN-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-n1c(SCCC(=O)NCc2ccco2)nnc1-c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-29-20-12-6-5-11-19(20)27-22(17-8-3-2-4-9-17)25-26-23(27)31-15-13-21(28)24-16-18-10-7-14-30-18/h2-12,14H,13,15-16H2,1H3,(H,24,28)
InChIKeyUWDMOOMLQBERPB-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.33
Rot. Bonds9

About N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (PubChem CID 11719024) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
PubChem CID11719024
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC NameN-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILESCOc1ccccc1-n1c(SCCC(=O)NCc2ccco2)nnc1-c1ccccc1
InChIInChI=1S/C23H22N4O3S/c1-29-20-12-6-5-11-19(20)27-22(17-8-3-2-4-9-17)25-26-23(27)31-15-13-21(28)24-16-18-10-7-14-30-18/h2-12,14H,13,15-16H2,1H3,(H,24,28)
InChIKeyUWDMOOMLQBERPB-UHFFFAOYSA-N
XLogP4.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide 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

N-(furan-2-ylmethyl)-3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 110408830
N-(furan-2-ylmethyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1042089
N-(furan-2-ylmethylcarbamoyl)-2-[[4-(2-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 16536750
N-butan-2-yl-4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide
CID 42734340
4-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)butanamide
CID 42734352
3-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 17047526
2-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1-phenylethyl)acetamide
CID 42734330
N-(furan-2-ylmethyl)-3-[[5-[(4-methylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 17047759
2-[[4-(2-ethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3214555
N-(furan-2-ylmethyl)-2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2660206
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
CID 3980124
2-[[4-[(2S)-butan-2-yl]-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 52509273

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide (CID 11719024) is N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide is COc1ccccc1-n1c(SCCC(=O)NCc2ccco2)nnc1-c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
The InChIKey is UWDMOOMLQBERPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-29-20-12-6-5-11-19(20)27-22(17-8-3-2-4-9-17)25-26-23(27)31-15-13-21(28)24-16-18-10-7-14-30-18/h2-12,14H,13,15-16H2,1H3,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide?
N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide has a molecular weight of 434.52 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[4-(2-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide is sourced from PubChem (CID 11719024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).