2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide

C19H21N5O2S — CID 1180501

IUPAC2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(N)nnc2SCc2ccccc2)cc1
InChIInChI=1S/C19H21N5O2S/c1-2-26-16-10-8-15(9-11-16)21-17(25)12-24-18(20)22-23-19(24)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,20,22)(H,21,25)
InChIKeyAGVDWNPQRQBBOM-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.19
Rot. Bonds8

About 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide

2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide (PubChem CID 1180501) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide
PubChem CID1180501
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cn2c(N)nnc2SCc2ccccc2)cc1
InChIInChI=1S/C19H21N5O2S/c1-2-26-16-10-8-15(9-11-16)21-17(25)12-24-18(20)22-23-19(24)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,20,22)(H,21,25)
InChIKeyAGVDWNPQRQBBOM-UHFFFAOYSA-N
XLogP3.19
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)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

ethyl 2-[[2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39774154
N-(4-ethoxyphenyl)-2-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 126101069
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 46305808
2-(2-benzylsulfanyl-4-methyl-6-oxopyrimidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 7748580
1-[[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea
CID 3933903
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
N-(4-ethoxyphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1150619
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-1-pyrrolidin-1-ylethanone
CID 9145896
N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126166343
5-amino-1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-(2-phenylethyl)triazole-4-carboxamide
CID 7180002
N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3352293

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide (CID 1180501) is 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)Cn2c(N)nnc2SCc2ccccc2)cc1.
What is the InChIKey of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AGVDWNPQRQBBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-2-26-16-10-8-15(9-11-16)21-17(25)12-24-18(20)22-23-19(24)27-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H2,20,22)(H,21,25).
What are the key properties of 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide?
2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide has a molecular weight of 383.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1180501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).