1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

C20H23N5O3S — CID 45242395

IUPAC1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCOc1ccc(CC(=O)NCCn2cc(C(=O)NC(C)c3cccs3)nn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-14(18-4-3-11-29-18)22-20(27)17-13-25(24-23-17)10-9-21-19(26)12-15-5-7-16(28-2)8-6-15/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyISYHYULJLJENGU-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.20
Rot. Bonds9

About 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide

1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 45242395) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID45242395
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESCOc1ccc(CC(=O)NCCn2cc(C(=O)NC(C)c3cccs3)nn2)cc1
InChIInChI=1S/C20H23N5O3S/c1-14(18-4-3-11-29-18)22-20(27)17-13-25(24-23-17)10-9-21-19(26)12-15-5-7-16(28-2)8-6-15/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyISYHYULJLJENGU-UHFFFAOYSA-N
XLogP2.20
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide 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

Pyrazine-2-carboxylic acid [benzylcarbamoyl-(4-methoxy-phenyl)-methyl]-thiophen-2-ylmethyl-amide
CID 3188485
5-(1-(2-(4-methoxybenzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 44418169
methyl 1-[(3S,5S)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 45227333
US10344025, Example 522
CID 118646323
1-(benzenesulfinylmethyl)-N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]triazole-4-carboxamide
CID 145980999
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 90666544
N-[(2S)-1-(4-methoxy-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]-1-(phenylsulfanylmethyl)triazole-4-carboxamide
CID 145992501
N-(2-amino-5-thiophen-3-ylphenyl)-1-[2-(4-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 172440571
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]benzamide
CID 172441257
N-(2-amino-5-thiophen-2-ylphenyl)-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]thiophene-2-carboxamide
CID 172442581
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]benzamide
CID 172443501
N-(2-amino-5-thiophen-2-ylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 172447635

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide (CID 45242395) is 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is COc1ccc(CC(=O)NCCn2cc(C(=O)NC(C)c3cccs3)nn2)cc1.
What is the InChIKey of 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is ISYHYULJLJENGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-14(18-4-3-11-29-18)22-20(27)17-13-25(24-23-17)10-9-21-19(26)12-15-5-7-16(28-2)8-6-15/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide?
1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]-N-(1-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 45242395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).