N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide

C23H24N4O4S — CID 645370

IUPACN-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)cc1
InChIInChI=1S/C23H24N4O4S/c1-15(28)24-18-8-4-16(5-9-18)21(30)14-32-23-26-25-22(17-6-10-19(29)11-7-17)27(23)13-20-3-2-12-31-20/h4-11,20,29H,2-3,12-14H2,1H3,(H,24,28)
InChIKeyYXQCTQKSFALMRM-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.76
Rot. Bonds8

About N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide

N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide (PubChem CID 645370) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
PubChem CID645370
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)cc1
InChIInChI=1S/C23H24N4O4S/c1-15(28)24-18-8-4-16(5-9-18)21(30)14-32-23-26-25-22(17-6-10-19(29)11-7-17)27(23)13-20-3-2-12-31-20/h4-11,20,29H,2-3,12-14H2,1H3,(H,24,28)
InChIKeyYXQCTQKSFALMRM-UHFFFAOYSA-N
XLogP3.76
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide 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

2-[4-Ethyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-p-tolyl-acetamide
CID 1143135
N-(4-{2-[5-(4-Hydroxy-phenyl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-acetamide
CID 653486
N-[4-[[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]propanamide
CID 3186723
N-(4-{2-[5-(4-Hydroxy-phenyl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-phenyl)-propionamide
CID 3186729
N-(4-{2-[5-(4-Hydroxy-phenyl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetyl}-2-methoxy-phenyl)-propionamide
CID 3186730
4-[({[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
CID 2954586
4-((((4-Ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzamide
CID 1264896
4-[5-(4-Hydroxy-phenyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-3-oxo-N-phenyl-butyramide
CID 3168893
N-(4-Acetyl-phenyl)-2-[5-furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
CID 3214962
4-[[2-[[5-[(4-Ethylphenoxy)methyl]-4-(1-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 3455185
ethyl 3-[({[4-benzyl-5-(4-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
CID 996787
N-(4-Acetylphenyl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
CID 1014995

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide (CID 645370) is N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)n2CC2CCCO2)cc1.
What is the InChIKey of N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is YXQCTQKSFALMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-15(28)24-18-8-4-16(5-9-18)21(30)14-32-23-26-25-22(17-6-10-19(29)11-7-17)27(23)13-20-3-2-12-31-20/h4-11,20,29H,2-3,12-14H2,1H3,(H,24,28).
What are the key properties of N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 452.54 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-(4-hydroxyphenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 645370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).